data_1q2z_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 1q2z _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 t30 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.421 0.153 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.59 -34.7 84.18 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.513 2.142 . . . . 0.0 112.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.22 -37.05 72.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.205 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -69.71 -47.28 63.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -61.99 -34.42 76.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.822 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -70.24 -47.46 61.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.642 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -59.11 -35.48 73.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.054 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.0 t -76.61 -44.12 34.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.186 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -29.69 67.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.237 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.415 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 27.8 m -94.16 -4.38 10.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.483 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.57 40.78 3.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -116.06 -47.35 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.983 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 4.8 pttt -175.87 -40.62 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.575 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 94.8 mttt -154.13 157.13 38.45 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.181 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.529 ' C ' ' H ' ' A' ' 20' ' ' PHE . . . -169.49 -31.94 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.178 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m 70.45 -21.75 0.18 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.703 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.529 ' H ' ' C ' ' A' ' 18' ' ' ALA . 6.9 t80 67.55 55.75 0.62 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.105 0.479 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -141.39 -57.78 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.72 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.14 -43.19 74.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.62 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.77 -31.02 70.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.951 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.4 m -77.31 -57.89 3.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.577 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -51.28 -44.16 61.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.757 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -63.34 -42.91 98.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.313 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.33 -47.43 81.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.595 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.1 tp -63.66 -34.01 65.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.679 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -65.24 -44.46 88.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.808 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -60.88 -44.35 97.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.775 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.5 mt -56.76 -50.85 73.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.092 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.6 -44.46 69.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.698 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -59.96 -45.64 91.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.308 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -56.42 -32.17 64.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.606 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mt -82.17 -18.61 42.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.74 -49.62 75.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.75 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.476 ' O ' ' HB2' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -49.82 -61.91 1.86 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.209 179.74 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' A' ' 37' ' ' THR . 71.2 m-20 92.35 59.99 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.905 0.753 . . . . 0.0 110.788 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -131.7 163.08 28.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.617 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.542 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 24.4 m -68.72 -48.96 30.1 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.904 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.542 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 16.7 Cg_exo -67.52 -9.5 25.58 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.26 1.973 . . . . 0.0 112.389 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -86.92 -26.12 24.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -73.81 -23.74 59.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.77 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -35.89 80.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.631 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -71.3 -33.95 70.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.667 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.0 m -66.71 -50.38 63.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.395 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.4 mt -58.37 -43.64 86.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.49 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.7 -25.05 67.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.33 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.3 m -80.57 -39.46 27.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.355 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.458 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -72.62 -27.06 24.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.634 179.559 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -77.05 -30.83 55.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.006 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.34 -34.51 31.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.065 0.46 . . . . 0.0 110.604 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -78.11 -48.36 16.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.835 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.458 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 3.5 tmm_? -51.67 -42.81 62.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.475 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -68.59 -46.45 69.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.75 0.309 . . . . 0.0 111.423 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -64.24 -26.43 68.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.144 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.576 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -84.33 -56.3 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.532 HG13 ' H ' ' A' ' 59' ' ' LYS . 1.3 pp -56.1 -41.62 69.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.616 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.532 ' H ' HG13 ' A' ' 58' ' ' ILE . 11.9 mmtt -50.44 -56.32 12.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.721 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -179.2 77.77 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.756 0.313 . . . . 0.0 111.351 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.576 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -158.82 -99.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.449 179.692 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -131.54 64.02 1.6 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.931 0.396 . . . . 0.0 111.11 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.417 ' HB2' HG21 ' A' ' 97' ' ' ILE . 7.7 pt-20 -53.01 -36.45 60.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.353 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.545 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 6.1 mm-40 -71.86 -23.84 61.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.879 0.371 . . . . 0.0 111.111 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.3 ttt85 -72.61 -19.44 61.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.272 0.558 . . . . 0.0 109.66 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -87.31 -45.29 10.72 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.561 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.545 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 1.6 p30 -70.46 -18.86 62.99 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -73.47 -58.21 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.042 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -65.29 -28.58 69.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.408 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.421 ' HB2' ' HA ' ' A' ' 67' ' ' ASN . 9.7 mt -66.73 -47.11 73.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.342 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -56.01 -42.13 75.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.519 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.65 -43.68 54.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.263 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 tp -57.47 -49.38 76.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -55.86 -51.85 66.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.035 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -68.9 -25.12 64.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.318 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -75.27 -53.55 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.247 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' A' ' 83' ' ' ASN . 2.4 m -63.29 -27.94 44.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.929 0.395 . . . . 0.0 110.554 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.66 -51.17 59.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.256 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.5 mt -92.89 53.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.261 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.427 ' HD3' HD21 ' A' ' 82' ' ' LEU . 48.7 tttt -155.75 -82.7 0.07 Allowed 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.032 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.416 ' C ' ' H ' ' A' ' 83' ' ' ASN . 2.8 mt-30 -176.95 -35.94 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.574 0.226 . . . . 0.0 111.38 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.427 HD21 ' HD3' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -74.08 37.53 0.1 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.679 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.494 ' HA ' HG22 ' A' ' 77' ' ' VAL . 1.0 OUTLIER -64.56 -15.52 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.061 0.458 . . . . 0.0 110.263 179.236 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -66.51 -30.87 71.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -57.56 -33.43 68.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.534 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.496 ' O ' ' HB ' ' A' ' 90' ' ' VAL . 64.6 t-105 -77.24 -44.83 28.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.353 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -63.0 -21.62 66.28 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 52.2 mt -85.89 -62.25 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.249 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.8 t -50.75 -29.59 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.344 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.496 ' HB ' ' O ' ' A' ' 86' ' ' TRP . 1.2 t -82.05 -50.61 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.579 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.407 ' C ' ' H ' ' A' ' 93' ' ' GLY . 9.2 mt-30 -52.8 -29.68 28.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.47 9.1 1.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.309 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 91' ' ' GLN . . . 71.94 7.14 65.57 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.961 -0.638 . . . . 0.0 113.007 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.7 mt -81.56 143.1 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.786 0.327 . . . . 0.0 111.192 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.0 t -129.81 167.92 17.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.67 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.408 HD13 HD11 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -62.36 -177.6 0.14 Allowed 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.33 0.586 . . . . 0.0 111.421 -179.797 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.543 HG23 HG22 ' A' ' 107' ' ' VAL . 1.7 mp -67.06 111.77 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.112 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.402 ' HB ' ' HB2' ' A' ' 101' ' ' GLU . 0.2 OUTLIER -96.26 141.22 29.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.36 -179.448 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.465 ' HG3' ' H ' ' A' ' 100' ' ' GLU . 0.1 OUTLIER -47.15 -59.87 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.45 179.723 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.465 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 1.7 tm-20 -63.81 -29.92 71.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.216 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.402 ' HB2' ' HB ' ' A' ' 98' ' ' THR . 3.3 mt-10 -63.0 -5.32 2.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.01 0.433 . . . . 0.0 110.619 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -117.86 -164.05 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.522 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.7 t -113.07 79.62 1.26 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.981 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 147.21 1.86 0.54 Allowed Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.465 -0.874 . . . . 0.0 113.082 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.441 ' HA ' ' C ' ' A' ' 99' ' ' LYS . 47.7 m 46.0 64.35 1.5 Allowed 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.909 0.355 . . . . 0.0 111.273 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.87 89.19 3.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.844 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.543 HG22 HG23 ' A' ' 97' ' ' ILE . 1.0 OUTLIER -173.99 131.73 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.359 178.86 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.21 153.17 44.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.928 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.82 -13.83 61.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.569 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.578 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 4.0 tt0 -84.07 -17.56 39.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.44 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -84.58 -49.72 8.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.144 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -87.68 -39.02 15.35 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -86.55 -49.01 7.86 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.87 0.692 . . . . 0.0 112.87 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.578 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 5.9 tmtm? -60.18 -30.94 69.67 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -178.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -74.01 -34.7 64.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.757 0.313 . . . . 0.0 111.186 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mp -130.27 83.46 2.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.985 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.031 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.3 t30 . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 120.529 0.204 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -84.92 -45.4 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.782 2.321 . . . . 0.0 113.131 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.07 -41.61 86.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.629 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.45 -45.02 66.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.218 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -65.72 -24.66 67.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.93 0.395 . . . . 0.0 110.831 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -79.63 -52.17 8.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -62.61 -30.94 71.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.386 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.435 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 9.9 p -79.44 -43.58 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.231 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 tt -58.84 -27.15 64.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.4 m -95.53 -7.77 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.33 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -108.65 -5.2 16.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.656 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 13.4 mm100 -116.44 -11.01 11.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.613 0.244 . . . . 0.0 111.472 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.77 120.83 0.18 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -70.11 83.58 0.52 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.892 0.377 . . . . 0.0 110.978 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.52 26.93 2.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.633 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 m 74.97 117.46 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.619 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -59.49 -32.94 70.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.122 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -51.85 -56.31 14.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.896 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -55.78 -49.2 73.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.757 0.313 . . . . 0.0 111.538 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.83 88.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.236 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.4 p -64.57 -51.6 61.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.588 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -54.41 -46.88 73.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.685 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -59.67 -46.75 88.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.745 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.44 HD13 HD11 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -57.69 -47.42 82.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.952 179.834 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.61 -35.25 69.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.78 -45.24 83.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.982 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -59.13 -44.72 92.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.907 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.44 HD11 HD13 ' A' ' 27' ' ' LEU . 68.6 mt -57.62 -48.97 82.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.233 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.414 ' HA ' HD13 ' A' ' 35' ' ' LEU . 38.6 mt-10 -55.32 -42.59 73.97 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.432 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -59.92 -44.78 94.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.948 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -56.68 -30.31 63.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.618 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 32' ' ' GLU . 2.3 mt -73.95 -17.91 60.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.872 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -69.3 -6.57 30.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.738 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.98 112.57 16.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.61 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -79.19 58.73 2.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.211 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.403 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 4.4 mm-40 -111.82 165.93 11.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.805 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.483 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 19.3 m -81.05 -50.26 0.99 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.755 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 40' ' ' THR . 61.9 Cg_endo -72.91 -15.06 26.52 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.129 1.886 . . . . 0.0 112.534 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -81.67 -32.23 31.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -81.33 -25.34 36.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.976 0.417 . . . . 0.0 110.76 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 39.0 mtt -62.56 -32.18 73.11 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.968 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -75.84 -28.21 58.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.304 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 m -62.65 -49.2 76.1 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.423 ' O ' HG21 ' A' ' 50' ' ' ILE . 9.8 mt -60.79 -38.97 80.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.634 178.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.29 -27.11 68.8 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.13 178.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 79.6 m -80.54 -39.67 27.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.26 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.46 HG12 ' CZ ' ' A' ' 66' ' ' PHE . 3.8 tt -70.23 -27.7 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.664 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -74.83 -32.75 62.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.59 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.56 -35.07 58.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.15 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -78.67 -49.12 13.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.961 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.542 ' O ' ' HB ' ' A' ' 58' ' ' ILE . 1.0 OUTLIER -53.21 -27.48 22.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.276 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -85.52 -55.17 4.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.763 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -65.89 -26.43 67.62 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.534 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.6 -60.46 1.99 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.542 ' HB ' ' O ' ' A' ' 54' ' ' ARG . 1.8 mp -55.48 -41.14 61.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.262 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.466 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 62.5 mttt -51.52 -47.84 63.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.504 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.466 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 17.4 p90 -172.27 86.95 0.08 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.09 0.472 . . . . 0.0 111.273 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.534 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -174.4 -98.08 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.508 179.692 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' A' ' 65' ' ' ARG . 31.0 mt-10 -133.84 65.0 1.59 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.13 -179.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.465 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 4.7 pt-20 -53.11 -34.81 58.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.28 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.588 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 37.1 mt-30 -64.71 -19.0 65.51 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.908 0.385 . . . . 0.0 111.155 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -75.29 -18.33 60.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.911 179.689 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.46 ' CZ ' HG12 ' A' ' 50' ' ' ILE . 6.6 t80 -87.29 -48.47 7.98 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.782 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.588 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.3 OUTLIER -63.88 -18.38 64.12 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 177.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -75.43 -57.5 3.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.251 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -65.01 -29.73 70.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.317 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.6 mt -66.76 -51.18 58.85 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.685 0.279 . . . . 0.0 110.47 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -53.9 -42.19 68.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.952 0.406 . . . . 0.0 110.637 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.82 -44.06 64.55 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.868 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.1 tp -59.94 -36.09 76.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.353 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.46 ' HA ' HG11 ' A' ' 77' ' ' VAL . 3.5 tm0? -64.88 -54.81 25.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.413 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -53.76 -33.09 54.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.504 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -81.51 -57.42 3.48 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.164 0.507 . . . . 0.0 110.627 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.465 HG23 ' HB2' ' A' ' 86' ' ' TRP . 9.6 p -52.14 -31.74 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.421 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -55.86 -53.35 57.83 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.562 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.7 mt -62.95 -89.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.962 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.03 172.13 16.22 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 66.96 118.28 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 80.91 11.15 0.91 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.766 0.826 . . . . 0.0 110.378 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.451 ' HA ' HG21 ' A' ' 77' ' ' VAL . 15.1 t-20 -54.64 -42.43 71.24 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.944 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.641 ' H ' ' HD1' ' A' ' 84' ' ' HIS . 3.1 p-80 -62.12 -31.86 72.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.11 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -55.93 -39.18 71.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.028 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.465 ' HB2' HG23 ' A' ' 77' ' ' VAL . 53.5 t-105 -76.01 -42.8 46.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.594 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.46 -27.82 67.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.043 0.449 . . . . 0.0 109.929 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 54.8 mt -86.04 -59.85 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.517 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.49 HG13 HD11 ' A' ' 94' ' ' ILE . 18.6 t -46.81 -34.92 2.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.498 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.422 ' HB ' ' O ' ' A' ' 86' ' ' TRP . 1.1 t -76.62 -48.55 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.337 . . . . 0.0 110.153 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -55.03 -40.21 69.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.775 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.92 -1.65 3.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.18 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.05 5.58 87.08 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.942 -0.647 . . . . 0.0 113.316 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.49 HD11 HG13 ' A' ' 89' ' ' VAL . 39.8 mt -60.84 126.7 19.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 117.11 0.455 . . . . 0.0 110.568 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.415 ' HA ' HD13 ' A' ' 116' ' ' LEU . 35.7 p -97.93 -166.48 1.38 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.184 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.542 HD22 HD13 ' A' ' 116' ' ' LEU . 0.5 OUTLIER -103.19 170.39 7.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.947 -179.237 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.507 ' O ' HG11 ' A' ' 107' ' ' VAL . 1.3 mp -67.76 103.25 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.1 m -99.76 140.2 34.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.054 0.455 . . . . 0.0 111.994 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.534 ' HB3' ' N ' ' A' ' 107' ' ' VAL . 6.4 ptmt -49.13 -54.93 14.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.923 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.442 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 47.1 tt0 -57.39 -29.99 64.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.494 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -109.1 22.16 16.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.143 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.63 -95.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.265 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.6 t -137.27 -18.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.569 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 174.1 57.59 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.194 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.421 ' HA ' ' HB2' ' A' ' 99' ' ' LYS . 4.4 m 51.6 46.29 26.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.808 0.337 . . . . 0.0 111.151 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 m -123.39 89.12 3.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.352 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.534 ' N ' ' HB3' ' A' ' 99' ' ' LYS . 1.2 t 174.41 146.6 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.998 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.39 150.18 27.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.097 0.475 . . . . 0.0 111.675 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.18 -13.12 58.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.308 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 15.1 mt-10 -63.12 -21.91 66.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.895 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.431 ' HG3' HD11 ' A' ' 96' ' ' LEU . 6.1 tt0 -85.32 -51.06 6.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.912 0.387 . . . . 0.0 111.187 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.521 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -67.77 -24.86 65.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.218 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -87.59 -52.1 5.52 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 2.9 tmtp? -64.72 -31.35 72.53 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -178.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 111' ' ' GLU . 15.3 m-85 -78.28 -47.35 18.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.59 0.233 . . . . 0.0 111.556 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.542 HD13 HD22 ' A' ' 96' ' ' LEU . 1.5 mt -91.27 37.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.927 0.394 . . . . 0.0 110.8 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.0 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 t30 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.46 0.171 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -66.05 -41.68 12.79 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.579 2.186 . . . . 0.0 112.384 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.9 -43.25 75.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.355 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -66.06 -46.3 78.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.134 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -63.91 -33.21 75.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.981 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -70.4 -50.49 38.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -59.45 -37.97 79.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.254 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.6 t -72.01 -44.63 65.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.384 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.92 -31.18 68.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.377 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.5 m -94.76 -9.58 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.616 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -90.51 -57.04 2.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.812 0.339 . . . . 0.0 111.387 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -55.32 -27.81 49.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.341 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.64 132.02 0.11 Allowed 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.99 91.8 0.22 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.182 0.515 . . . . 0.0 110.444 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.19 -54.53 39.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.301 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 t -174.07 -29.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.045 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.9 t80 75.82 -56.41 0.59 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.242 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -52.88 -46.37 67.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.324 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -61.43 -48.17 82.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.01 -33.77 76.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.711 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -65.84 -53.36 41.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.127 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -51.93 -42.6 62.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.472 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -65.63 -44.56 86.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.302 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.17 -44.05 78.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.772 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.6 mp -65.95 -43.15 92.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.661 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -43.05 93.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.437 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -61.0 -50.15 74.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.211 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.5 mt -57.04 -49.51 79.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.583 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -56.17 -36.04 67.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.763 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -67.31 -47.28 71.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.301 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -59.52 -24.14 63.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.792 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.9 -50.23 73.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.709 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -51.86 -18.61 1.36 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.195 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.44 99.84 11.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.485 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -77.2 45.81 0.47 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.451 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.514 ' HB2' ' HB2' ' A' ' 42' ' ' TYR . 15.4 mm-40 -102.74 146.36 28.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 110.781 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.489 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.2 m -62.62 -50.37 78.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.103 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 40' ' ' THR . 59.9 Cg_endo -71.75 -18.78 28.26 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.108 1.872 . . . . 0.0 112.738 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.514 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 9.0 m-85 -79.01 -41.14 29.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.108 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -65.55 -17.63 64.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 55.1 mtt -74.53 -26.94 60.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.322 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -73.13 -33.73 65.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.875 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -50.99 60.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.054 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.438 ' O ' HG23 ' A' ' 50' ' ' ILE . 13.8 mt -59.19 -41.85 85.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.137 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.98 -26.63 67.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.941 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -81.44 -44.42 17.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.497 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.49 HG23 ' N ' ' A' ' 51' ' ' ARG . 11.6 tt -66.02 -27.62 41.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.775 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.49 ' N ' HG23 ' A' ' 50' ' ' ILE . 1.6 mtm180 -79.0 -31.0 44.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.788 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.13 -37.67 45.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.414 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -75.72 -48.39 22.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.636 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 0.4 OUTLIER -49.01 -46.43 44.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.3 179.64 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -66.86 -47.39 72.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.661 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.22 -31.35 71.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.657 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.536 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -83.04 -54.07 5.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.558 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.531 HG13 ' H ' ' A' ' 59' ' ' LYS . 1.7 pp -57.48 -43.51 83.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.984 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.531 ' H ' HG13 ' A' ' 58' ' ' ILE . 55.1 mttt -49.46 -52.27 30.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.533 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.432 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 19.7 p90 -176.44 88.52 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.078 0 CA-C-O 121.14 0.495 . . . . 0.0 111.298 178.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.536 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 3.3 t -173.56 -96.77 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.752 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 65' ' ' ARG . 36.1 mt-10 -135.56 64.93 1.56 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.165 -179.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.504 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 13.6 pt-20 -53.41 -34.18 56.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.294 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.575 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 55.3 mt-30 -67.47 -18.04 64.92 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.936 0.398 . . . . 0.0 111.009 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.455 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 5.8 ttt180 -74.89 -17.64 60.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.332 0.587 . . . . 0.0 109.557 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -86.84 -48.85 7.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.636 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.575 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.3 OUTLIER -66.55 -18.84 65.59 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.458 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -72.19 -57.96 3.81 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.123 178.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -68.68 -23.71 64.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.891 178.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.466 ' HB2' ' HA ' ' A' ' 67' ' ' ASN . 9.1 mt -67.25 -52.11 44.81 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.501 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -57.63 -42.32 83.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.718 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.51 -45.97 64.57 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.063 0.459 . . . . 0.0 111.245 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.8 tp -59.77 -58.66 7.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.628 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -48.71 -58.47 4.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.029 -179.335 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -52.98 -41.3 64.46 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.519 -178.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -66.22 -58.17 5.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.35 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.453 ' HA ' ' HB2' ' A' ' 81' ' ' GLN . 0.9 OUTLIER -63.29 -22.98 32.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.685 -179.437 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -60.52 -49.72 76.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.126 179.432 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.4 mt -69.95 54.13 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 112.964 0.728 . . . . 0.0 112.964 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 80' ' ' LYS . 0.6 OUTLIER 50.61 64.46 1.81 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 177.674 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.465 ' HB3' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -122.44 -77.27 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.999 178.634 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 81' ' ' GLN . 0.1 OUTLIER -136.65 62.43 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.989 0.423 . . . . 0.0 110.867 179.097 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -66.83 -24.08 66.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.232 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -53.14 -52.11 59.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.598 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -52.05 -42.66 63.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.555 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -61.46 -40.69 95.44 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.178 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -64.43 -38.81 92.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.073 0.463 . . . . 0.0 109.902 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.7 mt -77.8 -18.58 13.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.982 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.572 HG13 ' HB ' ' A' ' 94' ' ' ILE . 2.7 t -81.52 -40.59 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.164 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.1 p -76.98 -36.46 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.339 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -62.49 -48.89 77.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.61 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -10.48 4.88 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.315 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.44 30.22 14.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.949 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.572 ' HB ' HG13 ' A' ' 89' ' ' VAL . 15.7 mt -92.54 116.44 33.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.037 0.446 . . . . 0.0 110.69 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.518 HG23 ' H ' ' A' ' 97' ' ' ILE . 11.7 t -92.78 -167.02 1.65 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.556 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.631 ' HB2' ' HA ' ' A' ' 112' ' ' ALA . 1.1 mm? -98.83 5.19 47.57 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.578 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.599 ' HB ' ' O ' ' A' ' 96' ' ' LEU . 0.5 OUTLIER 84.72 121.17 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 O-C-N 124.132 0.895 . . . . 0.0 109.742 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.72 150.55 33.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.592 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.504 ' HB2' ' HA ' ' A' ' 105' ' ' SER . 0.0 OUTLIER -43.44 -56.7 3.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.789 179.655 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.413 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 2.8 tt0 -62.4 -26.39 68.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.441 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -103.64 16.31 26.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.146 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.87 -94.48 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.274 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.9 -16.24 0.69 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.924 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 175.24 57.6 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.428 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.504 ' HA ' ' HB2' ' A' ' 99' ' ' LYS . 58.1 m 52.93 43.65 31.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.675 0.274 . . . . 0.0 111.363 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.89 89.01 3.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.77 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 97' ' ' ILE . 0.9 OUTLIER 170.5 139.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.929 179.112 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.05 150.35 46.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 111.232 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.17 -48.46 12.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.661 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -42.2 -21.89 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.218 179.174 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.423 ' CG ' ' HB3' ' A' ' 96' ' ' LEU . 3.9 tt0 -74.26 -52.53 12.04 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.416 0.627 . . . . 0.0 109.744 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.631 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -78.76 -19.61 51.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.88 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -88.54 -48.56 7.49 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 0.5 OUTLIER -72.53 -20.3 61.37 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -178.054 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.498 ' CG ' ' HG ' ' A' ' 96' ' ' LEU . 4.9 m-85 -83.34 -47.69 11.2 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 95' ' ' THR . 2.0 mp -82.33 57.65 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 111.147 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.778 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 CA--C 1.53 0.208 0 CA-C-O 120.552 0.215 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.99 -29.53 54.89 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.452 2.102 . . . . 0.0 112.567 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.73 -37.41 84.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.054 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -72.17 -47.87 47.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.805 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -62.38 -29.07 70.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.654 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -72.55 -52.42 15.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.626 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 10' ' ' ARG . 51.2 mtt180 -57.3 -34.94 69.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.006 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 84.1 t -78.03 -45.96 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.004 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 mt -51.87 -32.15 30.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.5 m -89.25 -40.16 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -82.29 56.0 3.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -116.1 -47.7 2.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.758 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.583 ' HG3' ' H ' ' A' ' 17' ' ' LYS . 22.3 pttt 179.59 -52.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.691 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.583 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 20.0 tttt -176.38 61.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.92 -2.32 57.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.055 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 m 68.64 127.47 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.983 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -62.92 -32.57 73.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.187 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -48.9 -64.91 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -52.3 -51.07 60.67 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.56 -38.85 82.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.565 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.7 m -65.9 -53.01 45.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.595 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -53.54 -49.38 67.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.529 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -56.47 -48.32 77.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.435 HD13 HD13 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -56.41 -49.15 75.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.949 179.756 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.6 mm -59.0 -43.14 88.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.594 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -62.36 -46.21 89.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.73 0.3 . . . . 0.0 110.407 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -47.87 70.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.906 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.435 HD13 HD13 ' A' ' 27' ' ' LEU . 79.9 mt -58.55 -48.87 84.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.58 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -54.33 -42.37 70.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.759 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -63.25 -49.49 73.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.162 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -53.22 -25.98 16.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.655 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 mt -79.08 -39.18 34.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.698 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -59.36 -42.78 92.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.48 -30.75 67.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 58.96 39.48 23.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.976 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -99.98 127.73 46.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.435 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 1.2 m -54.3 -48.45 94.52 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.844 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.435 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 48.2 Cg_exo -56.28 -65.31 0.11 Allowed 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.154 1.903 . . . . 0.0 112.509 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -45.67 -30.85 1.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.41 ' HB2' ' O ' ' A' ' 40' ' ' THR . 2.0 m-85 -58.08 -38.29 76.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.811 0.339 . . . . 0.0 110.776 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.2 mtt -57.02 -25.65 58.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.509 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.23 -55.15 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.109 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 49' ' ' CYS . 0.7 OUTLIER -43.25 -47.15 6.44 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.621 178.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.4 mt -56.84 -50.16 76.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.096 0.474 . . . . 0.0 109.964 178.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -63.76 -18.55 64.17 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.024 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 46' ' ' SER . 73.8 m -81.97 -47.17 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.68 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -24.87 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-O 121.159 0.504 . . . . 0.0 110.1 178.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -77.84 -52.49 8.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.951 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.97 -33.19 70.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.872 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.415 ' HB3' ' HE1' ' A' ' 66' ' ' PHE . 4.7 t80 -72.69 -53.17 12.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.767 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -58.48 -31.12 67.54 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.759 0.314 . . . . 0.0 110.998 -179.65 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.19 -53.28 17.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.884 0.373 . . . . 0.0 110.606 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.54 -23.93 66.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.584 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.538 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.68 -58.29 2.66 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.714 0.292 . . . . 0.0 111.481 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 53.6 mt -55.34 -43.15 70.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.73 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.446 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 37.0 mttt -49.78 -53.68 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.482 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.446 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 21.6 p90 -178.59 90.39 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.197 0.522 . . . . 0.0 110.9 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.538 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -172.75 -99.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.302 179.826 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -131.32 64.67 1.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 0.0 111.248 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -53.18 -35.62 60.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.232 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.588 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 21.3 mt-30 -68.49 -22.17 64.56 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.965 0.412 . . . . 0.0 111.114 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 65' ' ' ARG . 4.4 ttt180 -73.05 -19.96 61.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.149 0.5 . . . . 0.0 109.837 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 54' ' ' ARG . 1.2 t80 -87.41 -46.03 10.01 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.588 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.5 OUTLIER -65.5 -18.18 65.12 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 178.471 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -77.59 -58.12 3.44 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.638 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -62.95 -33.56 75.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.954 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.43 HD12 HD21 ' A' ' 96' ' ' LEU . 12.2 mt -65.19 -47.81 75.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.117 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -54.39 -44.67 72.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.467 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.06 -44.85 75.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.742 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 tp -51.47 -40.64 59.88 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.383 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.435 ' HA ' HG12 ' A' ' 77' ' ' VAL . 0.7 OUTLIER -65.09 -50.28 66.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.148 178.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.504 ' O ' HG12 ' A' ' 79' ' ' ILE . 5.4 mt-10 -62.4 -24.73 67.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.998 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -82.46 -52.33 6.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.925 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 74' ' ' GLN . 10.9 p -54.13 -31.52 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.51 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.443 ' C ' ' H ' ' A' ' 80' ' ' LYS . 7.1 mt-10 -64.25 -42.62 96.4 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 75' ' ' GLU . 28.8 mm -59.02 -6.45 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.652 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 76.66 114.72 0.06 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.052 179.787 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 176.85 -40.02 0.01 OUTLIER 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.794 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.78 45.75 2.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.298 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -59.33 -27.6 66.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.873 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -79.28 -38.29 35.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.793 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.409 ' C ' HG23 ' A' ' 88' ' ' ILE . 25.0 t80 -61.25 -24.47 66.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.747 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.476 ' O ' ' HB ' ' A' ' 90' ' ' VAL . 56.9 t-105 -86.98 -48.46 8.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.341 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -59.61 -22.17 61.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.454 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.409 HG23 ' C ' ' A' ' 85' ' ' PHE . 2.1 tt -86.73 -57.69 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.009 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 30.3 m -56.95 -36.17 49.56 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-O 120.839 0.352 . . . . 0.0 111.323 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' A' ' 86' ' ' TRP . 0.9 OUTLIER -68.69 -59.44 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.929 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.42 ' N ' HG11 ' A' ' 90' ' ' VAL . 19.1 mt-30 -52.77 -31.53 38.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.075 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.1 4.44 2.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.403 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.56 1.79 72.56 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.877 -0.678 . . . . 0.0 113.237 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.2 mt -67.49 134.39 30.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 117.091 0.446 . . . . 0.0 110.863 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 t -129.11 159.82 34.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.013 0.435 . . . . 0.0 111.627 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.43 HD21 HD12 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -58.5 176.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.589 -179.824 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.45 121.59 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.424 ' HB ' ' HB2' ' A' ' 101' ' ' GLU . 0.1 OUTLIER -101.51 142.42 32.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.142 179.651 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.446 ' HG3' ' H ' ' A' ' 100' ' ' GLU . 0.1 OUTLIER -39.27 -85.18 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.65 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.566 ' C ' ' H ' ' A' ' 102' ' ' ALA . 19.2 tt0 -53.14 -20.41 3.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.032 -178.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.424 ' HB2' ' HB ' ' A' ' 98' ' ' THR . 2.9 tt0 -68.17 15.08 0.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.681 0.277 . . . . 0.0 111.213 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.566 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -121.95 -60.13 1.61 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.981 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.95 -40.23 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.642 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 171.82 43.77 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.641 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.69 129.53 53.71 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-O 121.261 0.553 . . . . 0.0 111.509 -179.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.3 p -65.84 140.74 58.41 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.443 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.445 ' N ' ' HB3' ' A' ' 99' ' ' LYS . 3.4 t -139.01 138.51 41.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.226 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.93 149.08 15.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.296 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.34 -12.69 57.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.132 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.447 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 2.0 mt-10 -84.29 -16.64 42.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.305 -179.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -82.35 -48.36 11.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.968 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.24 -43.48 11.55 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -80.48 -47.57 14.1 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -177.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.447 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 0.2 OUTLIER -64.26 -34.05 77.22 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -178.296 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -68.29 -47.14 68.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.755 0.312 . . . . 0.0 111.201 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mp -110.3 61.77 0.6 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.097 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.965 179.834 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.405 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.6 t30 . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 120.408 0.147 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 4' ' ' ASN . 25.6 Cg_exo -63.07 -37.61 51.39 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.614 2.21 . . . . 0.0 112.257 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.51 -31.33 69.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.202 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -72.74 -52.29 15.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.727 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -63.87 -25.35 68.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -74.79 -54.75 6.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.73 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -55.33 -29.45 58.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.041 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.9 t -85.26 -46.04 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.041 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 tp -53.8 -33.25 55.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.151 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.417 ' C ' ' H ' ' A' ' 15' ' ' GLN . 5.8 m -79.53 -49.77 19.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.815 0.341 . . . . 0.0 110.644 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -80.34 37.88 0.4 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.18 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.417 ' H ' ' C ' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -85.31 -48.86 8.65 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.358 -179.367 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER 174.06 -38.74 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.566 0.222 . . . . 0.0 111.22 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 5.4 mmtp -129.86 -29.32 2.12 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.406 ' HB2' ' HA ' ' A' ' 13' ' ' VAL . . . -52.92 104.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.953 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 t -85.84 -67.22 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.492 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -179.34 44.85 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.014 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -121.28 -68.33 0.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 111.135 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -66.86 -43.37 83.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.47 -30.31 69.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.452 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.6 m -73.63 -58.03 3.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.809 0.338 . . . . 0.0 110.793 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -52.86 -42.74 65.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.84 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -62.05 -47.99 82.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.733 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -47.27 79.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.75 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -33.79 66.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -65.7 -44.82 84.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.155 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -44.79 95.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.914 179.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -57.49 -50.9 75.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.232 179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -57.39 -47.87 80.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.934 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -53.72 -48.86 69.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.51 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -54.31 -44.1 71.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.817 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.45 -18.1 57.38 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.97 0.414 . . . . 0.0 110.988 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -77.63 -5.87 51.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.802 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 60.0 p -126.9 118.41 24.52 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.624 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -76.69 126.41 30.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.745 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -162.31 165.11 27.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.68 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.556 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 11.6 m -82.18 -50.62 0.82 Allowed Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.556 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 65.3 Cg_endo -88.9 8.91 3.76 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.501 2.134 . . . . 0.0 113.693 -178.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -87.11 -35.06 18.89 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.214 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -64.64 -17.74 64.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.935 0.397 . . . . 0.0 110.717 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -77.13 -27.29 53.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.389 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -32.4 60.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.659 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.05 -52.34 43.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.244 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.9 mt -59.38 -40.25 81.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.509 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -62.27 -26.21 68.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.002 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.7 m -83.41 -47.77 11.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.323 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.482 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 6.3 tt -63.62 -20.77 27.05 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.084 0 CA-C-O 120.961 0.41 . . . . 0.0 110.614 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -78.65 -53.87 6.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.104 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.89 -31.98 72.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.905 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -72.77 -54.92 7.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.482 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -53.89 -39.83 66.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.262 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -64.47 -50.87 65.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.813 0.339 . . . . 0.0 111.256 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.92 -24.05 67.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.34 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.545 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -86.25 -57.79 2.88 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.767 0.318 . . . . 0.0 110.857 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.452 HG13 ' H ' ' A' ' 59' ' ' LYS . 1.9 pp -53.89 -40.19 43.43 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.204 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.197 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.452 ' H ' HG13 ' A' ' 58' ' ' ILE . 37.1 mttt -49.97 -54.19 21.51 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.516 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -177.28 80.16 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.348 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.545 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 7.6 t -160.79 -99.41 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.759 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.4 ' H ' ' HB3' ' A' ' 61' ' ' SER . 11.5 mm-40 -132.67 65.39 1.59 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.009 0.433 . . . . 0.0 111.379 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -52.44 -35.74 52.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.493 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.606 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 48.6 mt-30 -70.53 -18.38 62.94 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.737 0.303 . . . . 0.0 111.109 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -79.21 -20.52 48.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.11 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.51 -47.06 9.04 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.844 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.606 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -66.98 -18.79 65.55 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 178.322 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -69.98 -57.7 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.205 -1.361 . . . . 0.0 108.844 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -70.88 -25.41 62.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.873 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.516 ' HB2' ' HA ' ' A' ' 67' ' ' ASN . 9.7 mt -67.93 -48.0 67.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.633 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -58.0 -35.5 71.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.875 0.369 . . . . 0.0 110.741 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.45 -42.29 30.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.095 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.4 tp -62.93 -45.96 90.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.694 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -57.99 -53.67 55.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.158 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.15 -33.08 74.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.345 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -69.61 -57.35 5.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.329 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.403 HG13 ' HG ' ' A' ' 82' ' ' LEU . 1.4 m -66.73 -28.14 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.162 -179.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 74' ' ' GLN . 1.4 mt-10 -57.77 -52.57 64.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.94 0.4 . . . . 0.0 109.992 179.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.1 mm -61.21 -82.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.779 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -152.52 105.13 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.783 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.466 ' HB3' HD22 ' A' ' 82' ' ' LEU . 1.7 mt-30 -173.66 -75.97 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.488 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.466 HD22 ' HB3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -152.15 69.67 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.918 179.636 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -67.16 -18.56 65.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.631 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -66.17 -39.81 90.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.628 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -60.13 -28.66 68.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.746 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 -78.38 -47.17 18.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.776 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -62.76 -22.27 66.45 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.202 0.525 . . . . 0.0 110.053 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 62.6 mt -85.49 -59.92 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.838 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.469 HG11 HD12 ' A' ' 94' ' ' ILE . 11.7 t -47.48 -33.82 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.497 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.1 p -76.84 -49.21 24.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.769 0.319 . . . . 0.0 110.707 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -56.39 -39.37 72.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.994 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.12 -2.26 4.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.454 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.08 46.53 21.71 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.747 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.469 HD12 HG11 ' A' ' 89' ' ' VAL . 53.6 mt -105.62 131.16 55.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.938 0.399 . . . . 0.0 110.883 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.506 ' HA ' HD12 ' A' ' 116' ' ' LEU . 16.6 p -99.71 -166.79 1.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.709 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.527 HD23 ' HG3' ' A' ' 111' ' ' GLU . 1.1 tp -101.95 -135.5 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.072 -179.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.411 ' O ' HG23 ' A' ' 97' ' ' ILE . 1.3 mp -117.27 115.22 48.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 120.942 0.401 . . . . 0.0 111.658 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.48 ' HA ' ' HB ' ' A' ' 107' ' ' VAL . 0.2 OUTLIER -103.24 132.91 49.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.983 178.562 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.555 ' H ' ' HB ' ' A' ' 107' ' ' VAL . 33.5 mtpt -54.85 -33.33 61.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.699 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -59.0 -25.06 63.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.892 0.377 . . . . 0.0 110.691 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -75.21 -21.39 58.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.326 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -137.24 -69.36 0.46 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.899 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.468 ' HB2' ' HG2' ' A' ' 99' ' ' LYS . 0.6 OUTLIER -52.64 -90.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.616 -179.398 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.91 -58.18 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.368 -0.92 . . . . 0.0 113.156 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.7 p -66.0 -154.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.827 0.346 . . . . 0.0 111.549 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 107' ' ' VAL . 18.7 t -124.06 89.74 3.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.055 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.555 ' HB ' ' H ' ' A' ' 99' ' ' LYS . 1.2 t -24.99 133.11 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.211 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.421 ' HB ' ' HG2' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -47.98 151.35 0.96 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.577 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 113' ' ' LYS . . . -60.87 -31.72 71.17 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.315 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.421 ' HG2' ' HB ' ' A' ' 108' ' ' THR . 0.7 OUTLIER -50.14 -26.18 4.27 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.807 179.801 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.527 ' HG3' HD23 ' A' ' 96' ' ' LEU . 1.4 tt0 -89.8 -59.04 2.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.038 0.447 . . . . 0.0 111.16 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -80.1 -34.26 38.06 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 109' ' ' ALA . 29.7 mttt -88.58 -42.89 11.77 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -177.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.73 -31.62 72.39 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -178.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -75.14 -47.34 28.99 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 95' ' ' THR . 1.5 mp -79.94 -31.68 40.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.647 0.26 . . . . 0.0 111.395 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.15 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.425 0.155 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -61.0 -34.89 90.0 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.499 2.133 . . . . 0.0 112.256 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.79 -18.37 61.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.045 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -85.09 -56.47 3.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.031 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -63.08 -30.83 71.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -70.93 -53.72 13.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.996 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -54.47 -40.08 68.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.498 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.1 p -77.42 -42.03 30.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.667 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.01 -39.82 72.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.382 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.2 m -83.03 -6.71 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.266 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -112.73 43.04 1.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -109.34 -47.61 3.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.85 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HG3' ' H ' ' A' ' 17' ' ' LYS . 2.5 pttt -178.92 -55.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.771 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.531 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 4.0 mttt -173.62 74.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.833 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.3 -3.5 53.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 m 72.35 122.89 0.04 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.852 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -60.92 -31.47 70.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.245 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -53.0 -55.91 20.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.891 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -55.97 -50.28 71.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.621 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.38 82.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.064 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.6 t -63.3 -53.05 58.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.672 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -55.95 -43.89 77.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.87 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.05 -49.23 78.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.073 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.489 HD12 HD12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -57.69 -45.82 85.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.3 -32.84 59.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.89 0.376 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -67.53 -45.64 75.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.324 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -61.62 -44.39 97.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.188 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.489 HD12 HD12 ' A' ' 27' ' ' LEU . 89.8 mt -58.7 -49.61 82.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.591 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -55.49 -42.88 75.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.679 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -61.61 -47.1 86.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.56 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -56.38 -37.31 69.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.57 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.406 ' C ' ' H ' ' A' ' 37' ' ' THR . 8.8 mt -61.46 -45.24 95.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.764 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.02 -0.75 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.425 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.406 ' H ' ' C ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -120.05 119.18 32.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.08 0.466 . . . . 0.0 110.559 179.859 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -82.16 107.31 14.76 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.699 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -162.87 131.9 4.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.509 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.469 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 1.5 m -64.12 -50.07 70.54 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.738 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.469 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 16.8 Cg_exo -67.62 -12.59 36.11 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.345 2.03 . . . . 0.0 112.412 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -86.19 -41.97 14.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.131 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.15 -31.08 70.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.919 0.39 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -31.98 73.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.114 0.483 . . . . 0.0 110.077 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -71.43 -31.44 67.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.687 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.49 -50.12 60.38 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.2 mt -57.88 -43.72 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.818 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.44 -28.9 67.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.031 179.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 36.3 m -77.6 -43.83 30.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.034 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.86 -31.95 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.748 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -72.07 -35.17 69.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.022 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.71 -36.19 57.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.452 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -75.8 -51.17 13.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.791 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.0 mtp-105 -48.07 -45.56 32.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.379 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -70.03 -44.57 68.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.683 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.84 -34.99 79.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.552 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.61 -53.5 4.92 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.806 0.298 . . . . 0.0 111.806 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.405 ' HA ' ' HB3' ' A' ' 63' ' ' GLU . 71.5 mt -53.85 -46.42 63.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.006 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.459 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 33.4 mttm -49.56 -50.29 42.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.665 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.459 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 23.6 p90 -175.79 99.76 0.07 Allowed 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.103 0.478 . . . . 0.0 111.086 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.552 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.6 OUTLIER 179.2 -93.44 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.23 179.707 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -138.55 59.95 1.62 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.868 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.409 ' O ' ' OD1' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -53.51 -37.34 62.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.645 179.754 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.593 ' HA ' HD22 ' A' ' 67' ' ' ASN . 16.8 tt0 -69.04 -10.2 56.35 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.594 0.235 . . . . 0.0 111.607 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -82.26 -59.02 2.69 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.556 178.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.14 -47.88 34.46 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.704 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.593 HD22 ' HA ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -62.0 -54.97 34.2 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.755 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -41.59 -51.77 3.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.443 178.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -71.94 -31.55 66.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.749 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 67' ' ' ASN . 1.1 mt -59.19 -40.92 87.22 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.147 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -62.91 -33.13 74.68 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.503 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.88 -41.11 60.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.433 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.5 tp -57.5 -40.92 79.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.774 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.402 ' HA ' HG12 ' A' ' 77' ' ' VAL . 4.5 tm0? -60.6 -48.9 79.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.173 178.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -64.09 -24.41 67.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.959 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.549 ' HA ' HD12 ' A' ' 79' ' ' ILE . 30.3 mttp -81.18 -51.6 8.25 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.161 0.505 . . . . 0.0 110.173 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.402 HG12 ' HA ' ' A' ' 74' ' ' GLN . 9.5 p -60.89 -26.5 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.583 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.546 ' C ' ' H ' ' A' ' 80' ' ' LYS . 4.6 mt-10 -59.64 -49.22 78.6 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.23 178.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 76' ' ' LYS . 2.8 mt -60.4 3.19 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.398 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.546 ' H ' ' C ' ' A' ' 78' ' ' GLU . 1.5 ptpt 79.69 108.32 0.07 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.75 0.786 . . . . 0.0 111.305 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -166.11 -54.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.663 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.97 55.39 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.508 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -63.29 -36.76 84.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.064 0.459 . . . . 0.0 110.37 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -67.54 -44.37 78.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.619 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -52.13 -47.5 65.33 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.961 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 24.8 t-105 -57.77 -43.24 85.38 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.29 -41.19 94.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.053 0.454 . . . . 0.0 110.146 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 7.1 mt -73.75 -19.66 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.376 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.479 ' HA ' HD12 ' A' ' 94' ' ' ILE . 4.0 t -78.25 -41.23 26.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.265 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.5 p -73.96 -29.72 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.062 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -75.18 -50.86 14.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.689 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -57.49 -18.65 19.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.654 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.41 -24.48 31.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.279 -0.963 . . . . 0.0 113.976 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 89' ' ' VAL . 1.1 pt -46.7 112.48 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 117.563 0.681 . . . . 0.0 110.837 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 43.8 p -93.52 -167.21 1.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.974 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 111' ' ' GLU . 0.9 OUTLIER -88.83 -163.02 0.92 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.686 -179.103 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.482 ' HB ' ' HB3' ' A' ' 67' ' ' ASN . 1.2 mp -108.76 109.97 30.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.021 0.438 . . . . 0.0 111.255 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.13 137.02 43.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.767 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.653 ' H ' ' HB ' ' A' ' 107' ' ' VAL . 4.1 mtmt -54.08 -31.13 50.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 0.0 110.77 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -72.25 -30.28 64.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.45 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -67.03 -8.88 33.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.052 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -147.14 -127.58 0.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.523 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 97.3 p -89.51 153.95 20.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.741 0.305 . . . . 0.0 110.846 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 105.29 -142.84 15.58 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.705 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.511 ' H ' ' HD2' ' A' ' 99' ' ' LYS . 29.7 m -119.98 -116.52 0.32 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.7 t -123.94 88.51 2.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.745 0.307 . . . . 0.0 110.231 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.653 ' HB ' ' H ' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -45.13 150.13 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.877 -179.851 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.7 t -47.88 150.88 1.01 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.551 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.443 ' HB1' ' HB2' ' A' ' 113' ' ' LYS . . . -69.99 -27.07 64.4 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.102 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -44.42 -21.86 0.06 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.541 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 1.9 tt0 -88.95 -59.86 2.11 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.951 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.456 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -78.55 -33.0 48.12 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -178.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.443 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 11.8 tttm -87.64 -42.62 12.55 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -178.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -33.34 71.64 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -178.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 111' ' ' GLU . 18.1 m-85 -79.26 -47.14 16.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.737 0.303 . . . . 0.0 111.329 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.37 57.09 4.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.88 0.372 . . . . 0.0 110.842 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.04 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.53 0.176 0 CA-C-O 120.407 0.146 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.03 -33.51 26.67 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.505 2.137 . . . . 0.0 112.668 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.45 -39.14 77.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.168 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -71.75 -46.14 59.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -62.54 -34.27 76.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.04 -47.85 60.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.803 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.2 mtp-105 -61.24 -37.41 83.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.8 t -71.81 -44.97 67.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.266 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.58 -28.85 67.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.439 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.9 m -95.51 -5.6 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.695 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.62 -53.93 2.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.477 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -63.48 -11.71 25.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.27 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -175.94 132.26 0.25 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -81.46 87.9 6.18 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.569 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.35 30.04 1.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m 65.08 140.4 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.303 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -79.51 63.12 4.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.425 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -129.42 -63.38 0.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.99 -44.51 89.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.11 94.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.328 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 84.1 p -70.09 -54.8 11.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.838 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -51.46 -49.58 61.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.51 -45.92 87.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.566 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.36 -49.9 73.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.789 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.5 mp -58.54 -42.38 84.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.11 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -60.56 -45.44 93.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.882 0.372 . . . . 0.0 110.257 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -57.01 -47.25 81.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.845 179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.1 mt -56.48 -49.48 77.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.196 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -54.14 -45.34 71.96 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.661 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -59.38 -46.04 89.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.255 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -55.21 -32.0 61.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.928 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.0 mt -72.44 -18.4 61.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.218 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -66.76 -8.98 32.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.789 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.34 110.64 14.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.558 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -78.45 64.91 3.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.087 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.418 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 5.6 mm-40 -113.77 147.4 38.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.796 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.484 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 5.5 m -60.52 -50.19 86.64 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.721 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 40' ' ' THR . 66.3 Cg_endo -73.45 -9.12 22.64 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.193 1.929 . . . . 0.0 112.619 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -85.0 -31.78 23.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.136 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -76.58 -19.59 57.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.938 0.399 . . . . 0.0 110.624 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 63.2 mtt -69.77 -30.79 68.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.354 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.87 -27.07 43.99 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.395 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.69 -52.16 53.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.975 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.7 mt -60.97 -38.67 79.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.164 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -24.6 66.85 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.745 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -85.92 -47.26 9.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.184 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.41 HG12 ' HZ ' ' A' ' 66' ' ' PHE . 6.9 tt -64.31 -20.37 26.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 121.004 0.43 . . . . 0.0 110.477 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -78.54 -54.33 6.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.989 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.29 -31.08 69.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.661 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -77.3 -58.23 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.983 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -55.03 -28.73 54.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -75.18 -60.38 2.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.388 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.04 -21.27 66.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.87 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.548 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.8 -62.27 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 0.0 111.717 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 50.6 mm -57.02 -37.94 57.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.557 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -55.91 -44.41 78.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -176.3 89.11 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 121.171 0.51 . . . . 0.0 111.251 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.548 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -175.18 -98.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.312 179.625 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -129.65 66.2 1.47 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.937 0.399 . . . . 0.0 110.822 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -51.1 -36.77 42.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.711 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.571 ' HA ' HD22 ' A' ' 67' ' ' ASN . 56.6 mt-30 -69.28 -23.41 63.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.84 0.352 . . . . 0.0 111.278 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 65' ' ' ARG . 8.6 ttt180 -71.49 -23.7 61.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.232 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.41 ' HZ ' HG12 ' A' ' 50' ' ' ILE . 19.1 t80 -87.57 -46.05 9.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.732 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.571 HD22 ' HA ' ' A' ' 64' ' ' GLN . 4.6 p30 -67.22 -18.7 65.35 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -75.51 -57.53 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.252 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -63.54 -32.25 73.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.576 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.442 HD12 HD12 ' A' ' 96' ' ' LEU . 5.4 mt -62.07 -50.82 70.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.303 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -57.31 -47.84 80.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.322 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.99 -48.82 64.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.819 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 27.6 tp -52.88 -53.26 51.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.331 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.462 ' O ' HG13 ' A' ' 77' ' ' VAL . 10.2 tm0? -52.39 -50.37 62.57 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.509 ' O ' HG12 ' A' ' 79' ' ' ILE . 13.0 mt-10 -60.51 -32.52 71.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.247 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -70.02 -44.51 69.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.233 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.513 HG22 ' HA ' ' A' ' 83' ' ' ASN . 0.7 OUTLIER -60.96 -30.37 47.42 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 C-N-CA 120.548 -0.461 . . . . 0.0 109.803 179.72 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.452 ' C ' ' H ' ' A' ' 80' ' ' LYS . 14.1 mt-10 -66.34 -33.98 76.95 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.509 HG12 ' O ' ' A' ' 75' ' ' GLU . 19.0 mm -65.76 -0.05 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.291 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 74.77 111.32 0.07 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.429 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.445 ' HB3' HD23 ' A' ' 82' ' ' LEU . 0.9 OUTLIER 172.12 -36.31 0.0 OUTLIER 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.175 -179.667 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.445 HD23 ' HB3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -147.14 43.79 1.14 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.052 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.513 ' HA ' HG22 ' A' ' 77' ' ' VAL . 3.7 t-20 -64.12 -14.53 55.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.061 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.54 -34.4 35.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.334 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -62.9 -30.19 71.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.59 0.233 . . . . 0.0 110.98 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 35.8 t-105 -76.1 -48.33 21.13 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.743 0.306 . . . . 0.0 110.419 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 37.8 mt-10 -61.35 -19.71 62.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.088 0.47 . . . . 0.0 109.803 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.485 ' HA ' ' HB2' ' A' ' 91' ' ' GLN . 52.5 mt -85.1 -57.82 4.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.595 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.552 HG13 ' HB ' ' A' ' 94' ' ' ILE . 24.3 t -47.2 -33.39 2.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.392 178.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.2 p -87.23 -39.91 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.846 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.485 ' HB2' ' HA ' ' A' ' 88' ' ' ILE . 2.0 mt-30 -46.46 -30.4 2.16 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.329 178.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.74 -44.97 9.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.208 0.528 . . . . 0.0 109.626 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 120.83 34.19 0.93 Allowed Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.429 -0.805 . . . . 0.0 113.367 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.552 ' HB ' HG13 ' A' ' 89' ' ' VAL . 14.8 mt -78.43 144.09 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.0 p -95.01 -167.28 1.6 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.247 0.546 . . . . 0.0 112.26 -178.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.637 ' O ' ' HB ' ' A' ' 97' ' ' ILE . 1.0 OUTLIER -115.68 11.79 15.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.109 -179.332 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.637 ' HB ' ' O ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER 83.3 126.63 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 O-C-N 124.148 0.905 . . . . 0.0 109.934 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.24 157.35 27.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.094 0.473 . . . . 0.0 112.115 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.48 ' N ' ' HB ' ' A' ' 107' ' ' VAL . 10.9 ttmt -34.79 -84.28 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.609 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.594 ' C ' ' H ' ' A' ' 102' ' ' ALA . 33.4 tt0 -59.5 -15.13 15.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.918 -178.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -69.85 21.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 0.0 110.901 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.594 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -136.88 -59.46 0.71 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.761 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.2 -35.88 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.709 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 160.77 46.14 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.241 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.822 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.464 ' O ' ' HA ' ' A' ' 99' ' ' LYS . 69.8 m -121.24 127.55 51.53 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.992 0.425 . . . . 0.0 111.397 -179.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.461 ' HA ' ' HG3' ' A' ' 99' ' ' LYS . 50.3 m -55.87 134.03 51.7 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.04 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.48 ' HB ' ' N ' ' A' ' 99' ' ' LYS . 40.7 t -135.5 117.54 21.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.0 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.471 HG23 ' H ' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -47.91 150.1 1.2 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.667 -178.681 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.26 -12.5 59.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.285 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.471 ' H ' HG23 ' A' ' 108' ' ' THR . 27.6 mt-10 -78.49 -16.6 57.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.204 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -81.53 -48.78 11.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.315 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.531 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.06 -33.58 19.46 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -178.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -85.2 -48.8 8.77 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.11 -40.59 96.4 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.424 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . 17.2 m-85 -69.27 -48.03 62.88 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 70.3 mt -81.04 145.79 30.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.953 0.406 . . . . 0.0 111.165 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.686 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.7 t30 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.408 0.147 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.07 -39.15 93.23 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.559 2.173 . . . . 0.0 112.386 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.92 -30.1 66.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.194 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -73.22 -52.35 14.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.436 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -57.06 -29.85 63.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 179.864 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -78.57 -46.82 18.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.575 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -57.88 -34.78 70.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -79.83 -43.28 22.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.112 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 8' ' ' ASN . 0.1 OUTLIER -58.53 -33.07 69.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.956 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.468 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 30.8 m -87.98 -1.86 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.121 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -129.72 38.37 3.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.634 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.26 -47.75 2.74 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.668 0.271 . . . . 0.0 111.265 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.3 -39.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.886 0.374 . . . . 0.0 110.178 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -132.48 -156.2 0.73 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.286 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 20' ' ' PHE . . . 84.18 -54.0 0.13 Allowed 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.54 0.525 . . . . 0.0 110.481 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.1 m 49.26 -81.43 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.277 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.511 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -167.97 30.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.37 -179.052 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -114.38 -77.89 0.58 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.767 0.318 . . . . 0.0 111.083 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -64.38 -41.72 96.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.497 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . . . -68.44 -29.28 67.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.096 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.0 m -70.59 -57.02 5.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.483 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -54.15 -43.01 70.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.44 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -59.5 -47.09 86.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.359 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.25 -47.94 80.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.698 179.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.9 -35.45 68.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -64.69 -45.08 88.15 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.902 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -44.37 90.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.623 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 98.5 mt -57.15 -50.28 77.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.017 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -54.26 -44.62 71.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.638 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -59.15 -46.09 89.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.292 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -55.83 -31.53 62.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.884 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.8 mt -74.55 -18.21 60.62 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.054 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -66.29 -6.48 14.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.757 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.76 113.39 16.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.558 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -78.61 62.61 3.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.284 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.524 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 6.6 mm-40 -119.34 143.76 47.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.718 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.52 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 3.5 m -58.77 -49.79 91.5 Favored Pre-proline 0 CA--C 1.533 0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.71 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.524 ' HD2' ' HB3' ' A' ' 39' ' ' GLU . 25.9 Cg_exo -63.03 -15.01 45.16 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.185 1.923 . . . . 0.0 112.274 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -86.37 -35.62 19.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.003 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -68.32 -26.03 65.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.746 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 60.4 mtt -67.53 -33.17 74.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.427 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -29.5 61.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.674 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -52.0 44.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.183 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.2 mt -58.68 -41.55 82.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.173 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -25.05 67.34 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.185 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.9 m -82.41 -41.25 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.317 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.413 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 1.6 tt -70.71 -25.56 26.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.683 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -79.29 -29.98 42.73 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.83 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.43 -34.55 31.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.139 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -77.46 -50.26 13.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.727 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 2.1 tmt_? -52.27 -45.21 65.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.302 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -64.13 -53.72 45.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.543 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -64.2 -22.01 66.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.5 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.515 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.12 -59.24 2.35 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.196 -179.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.477 HG22 HG13 ' A' ' 97' ' ' ILE . 2.0 pp -56.81 -40.07 68.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.754 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.43 ' HB3' ' CD1' ' A' ' 60' ' ' PHE . 59.5 mttt -51.95 -55.01 22.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.625 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.43 ' CD1' ' HB3' ' A' ' 59' ' ' LYS . 21.8 p90 -178.84 86.21 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 121.247 0.546 . . . . 0.0 110.836 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.515 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -167.73 -100.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.199 179.743 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -130.9 64.17 1.58 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.964 0.412 . . . . 0.0 110.941 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.437 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 0.5 OUTLIER -53.92 -37.04 63.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.291 179.646 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.612 ' HA ' HD22 ' A' ' 67' ' ' ASN . 1.7 tt0 -63.68 -24.24 67.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.866 0.365 . . . . 0.0 111.049 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -73.0 -20.8 60.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.967 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.26 -48.26 7.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.542 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.612 HD22 ' HA ' ' A' ' 64' ' ' GLN . 0.8 OUTLIER -63.11 -18.3 63.27 Favored 'General case' 0 CA--C 1.521 -0.155 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.563 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -77.88 -57.41 3.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.594 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -66.1 -29.06 69.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.283 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 70' ' ' LEU . 7.0 mt -67.41 -51.78 47.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.867 0.365 . . . . 0.0 110.567 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -56.26 -43.86 79.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.989 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.4 -45.5 65.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.3 tp -55.87 -52.72 63.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.901 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -54.69 32.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -58.8 -43.39 90.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.227 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -61.62 -58.42 8.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.337 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.412 ' HA ' ' HB2' ' A' ' 81' ' ' GLN . 1.1 m -64.11 -17.93 21.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.851 0.358 . . . . 0.0 110.916 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.38 -56.65 4.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.219 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.6 mt -75.62 52.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.003 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.41 111.46 0.06 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.376 0.608 . . . . 0.0 111.686 178.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.412 ' HB2' ' HA ' ' A' ' 77' ' ' VAL . 0.1 OUTLIER 174.59 -83.54 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.052 179.333 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.77 72.37 1.33 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.846 0.355 . . . . 0.0 111.311 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -71.06 -14.83 62.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.111 0.481 . . . . 0.0 110.316 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -65.9 -44.79 84.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.054 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -55.63 -30.49 61.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.813 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -80.39 -42.13 23.37 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.707 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 25.1 mt-10 -61.99 -24.84 67.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.209 0.528 . . . . 0.0 109.726 179.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.4 mt -85.53 -57.74 4.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.707 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.614 HG11 ' HB ' ' A' ' 94' ' ' ILE . 3.5 t -46.77 -33.03 1.97 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.35 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.0 p -88.09 -38.87 12.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.73 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 29.6 tt0 -47.02 -30.69 2.79 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.151 178.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.74 -45.29 9.41 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 123.53 16.5 3.41 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.265 -0.88 . . . . 0.0 113.203 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.614 ' HB ' HG11 ' A' ' 89' ' ' VAL . 26.4 mt -54.09 137.68 14.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.843 0.321 . . . . 0.0 110.179 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 31.0 p -99.89 -167.59 1.48 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.224 0.535 . . . . 0.0 112.067 -178.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.566 ' HB2' ' HA ' ' A' ' 112' ' ' ALA . 0.1 OUTLIER -116.17 -176.26 2.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.777 -179.484 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.566 HG21 HD21 ' A' ' 67' ' ' ASN . 1.7 mp -78.39 112.01 15.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 178.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.499 ' HA ' HG13 ' A' ' 107' ' ' VAL . 0.2 OUTLIER -120.54 159.66 24.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.806 0.336 . . . . 0.0 111.748 -179.375 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.54 ' HG3' ' H ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -36.11 -76.96 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.619 179.478 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -63.99 -20.53 65.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.532 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -76.08 -9.43 58.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.773 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -154.3 133.8 12.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.955 0.407 . . . . 0.0 111.73 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.0 m 53.24 -164.15 0.09 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.432 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -76.66 72.85 1.95 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.213 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.482 ' HA ' ' C ' ' A' ' 99' ' ' LYS . 5.5 t 46.79 61.41 2.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.639 0.257 . . . . 0.0 111.394 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.427 ' O ' ' CB ' ' A' ' 107' ' ' VAL . 0.2 OUTLIER -126.94 97.09 4.84 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.54 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 1.0 OUTLIER 151.12 121.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.939 0.895 . . . . 0.0 110.21 178.584 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.3 t -58.85 150.51 23.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.322 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.425 ' HA ' HG21 ' A' ' 98' ' ' THR . . . -78.73 -22.95 45.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.386 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 5.1 mt-10 -42.17 -25.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.634 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -83.49 -48.55 10.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.208 0.527 . . . . 0.0 110.586 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.566 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -71.37 -21.78 61.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.873 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -88.28 -49.36 7.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.978 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -68.2 -29.04 67.8 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.488 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -72.97 -47.2 47.46 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.7 mt -76.18 -30.42 58.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.237 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.063 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.409 0.147 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.55 -35.55 81.06 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.452 2.101 . . . . 0.0 112.215 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.67 -23.66 65.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -85.36 -43.43 13.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -59.47 -50.87 72.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.668 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -56.48 -47.0 80.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.737 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -63.92 -29.26 70.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.088 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.7 t -74.34 -42.96 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.439 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.461 ' H ' ' HG ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -72.27 -26.81 62.13 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.322 -179.523 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.408 HG12 HD12 ' A' ' 12' ' ' LEU . 19.0 m -94.74 -3.19 10.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.779 0.323 . . . . 0.0 111.051 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -63.16 -10.82 16.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.761 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.596 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -116.28 -50.16 2.66 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.246 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.596 ' HB3' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER 131.67 6.46 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.565 1.146 . . . . 0.0 109.407 179.59 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -68.02 -35.74 78.79 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.718 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 19' ' ' SER . . . -93.51 -11.7 31.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.502 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.453 ' O ' ' O ' ' A' ' 18' ' ' ALA . 5.2 t 52.08 153.48 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.348 0.594 . . . . 0.0 112.468 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -80.56 48.06 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.655 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -131.06 -66.72 0.73 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.82 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -69.68 -40.99 76.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.673 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.13 -33.03 74.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.99 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 p -73.95 -56.72 4.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.714 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -52.62 -44.8 66.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.905 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -62.04 -43.98 97.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.609 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.96 -46.45 85.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.706 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.1 tp -65.15 -34.32 69.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.811 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -45.16 85.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.939 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -58.81 -44.43 90.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.834 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.0 mt -58.73 -50.03 80.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.201 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -54.05 -45.39 71.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.74 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -58.95 -46.04 89.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.297 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -55.47 -32.38 62.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.733 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mt -79.85 -18.76 49.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.834 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -79.63 -1.34 37.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.18 123.1 31.21 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.684 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -72.43 114.93 11.08 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.677 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -164.28 155.06 15.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.798 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.506 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 5.7 m -81.07 -49.53 1.02 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.691 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.506 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 7.4 Cg_exo -73.19 -1.06 10.01 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.495 2.13 . . . . 0.0 112.437 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -86.24 -47.57 9.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.164 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.402 ' HA ' ' HG ' ' A' ' 46' ' ' SER . 19.9 m-85 -61.65 -34.48 75.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.903 0.382 . . . . 0.0 110.703 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 61.9 mtt -65.32 -32.6 74.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.313 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -77.3 -28.04 53.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.439 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.402 ' HG ' ' HA ' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -66.69 -51.09 60.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.14 179.705 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -60.24 -41.13 85.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.267 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.54 -21.86 65.87 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.857 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.1 m -86.44 -46.66 10.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.166 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.5 tt -64.27 -21.19 28.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 121.049 0.452 . . . . 0.0 110.284 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.25 -54.46 6.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.096 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.13 71.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.575 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.45 ' HB3' ' HZ ' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -72.73 -55.08 7.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.01 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -56.45 -41.81 77.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.196 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 14.4 mt-10 -61.44 -57.49 11.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.482 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.46 -27.8 67.33 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.58 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -87.28 -62.19 1.56 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.0 mm -54.09 -38.0 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.896 -178.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 35.4 mttt -58.51 -42.83 88.55 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.13 -0.228 . . . . 0.0 110.988 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -172.7 78.0 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.929 0.395 . . . . 0.0 111.822 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.58 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -176.8 -106.52 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.577 179.42 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.666 ' HB3' ' HB3' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -103.42 82.87 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.404 . . . . 0.0 111.372 -178.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.12 -49.48 10.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.613 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.574 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 75.1 mt-30 -69.97 -21.1 63.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.794 0.331 . . . . 0.0 111.518 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.666 ' HB3' ' HB3' ' A' ' 62' ' ' GLU . 2.4 ttt180 -74.22 -19.38 60.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.118 0.485 . . . . 0.0 109.949 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.471 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -87.16 -45.91 10.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.221 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.574 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.8 OUTLIER -68.69 -18.58 64.28 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.709 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -75.59 -58.32 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.573 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -64.93 -29.7 70.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.857 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' A' ' 66' ' ' PHE . 5.2 mt -67.84 -47.35 69.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.567 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -56.08 -42.38 76.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.78 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.39 -44.63 58.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.001 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 35.8 tp -56.09 -49.36 74.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.5 ' O ' HG12 ' A' ' 77' ' ' VAL . 4.7 tm0? -53.82 -49.75 67.68 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.71 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.506 ' O ' HG12 ' A' ' 79' ' ' ILE . 33.2 mt-10 -65.15 -28.38 69.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.237 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -71.11 -46.82 60.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.085 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.5 HG12 ' O ' ' A' ' 74' ' ' GLN . 0.2 OUTLIER -59.19 -31.9 47.02 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.532 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -64.98 -32.51 74.26 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.506 HG12 ' O ' ' A' ' 75' ' ' GLU . 14.9 mm -67.99 -0.6 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.342 178.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.18 111.16 0.07 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.72 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 176.31 -43.71 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.825 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.47 47.51 1.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.78 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.422 ' HA ' HG22 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -65.68 -14.44 61.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.871 179.786 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 -37.24 43.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.966 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -65.88 -25.87 67.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 20.9 t-105 -75.79 -52.98 9.21 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.605 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.09 -18.5 60.95 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.189 0.519 . . . . 0.0 110.122 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 44.2 mt -85.38 -60.81 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.166 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.8 t -49.2 -31.61 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.333 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.0 p -78.58 -50.13 19.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.758 0.313 . . . . 0.0 110.492 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.402 ' C ' ' H ' ' A' ' 93' ' ' GLY . 30.2 tt0 -53.47 -35.8 60.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.958 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.99 5.43 2.03 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.341 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.402 ' H ' ' C ' ' A' ' 91' ' ' GLN . . . 75.73 -1.88 56.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.894 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 9.3 mt -70.83 137.81 23.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.751 0.31 . . . . 0.0 110.675 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.402 ' HA ' HD13 ' A' ' 116' ' ' LEU . 5.4 t -130.7 165.93 21.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.026 0.441 . . . . 0.0 111.587 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.419 ' HB2' ' HA ' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -57.94 177.1 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.548 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.3 mp -74.79 124.88 33.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.141 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.77 145.3 30.56 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.535 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.572 ' HG3' ' HA ' ' A' ' 106' ' ' SER . 22.5 tttt -31.05 -86.06 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.912 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.565 ' C ' ' H ' ' A' ' 102' ' ' ALA . 2.0 pt-20 -61.54 -11.68 12.08 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -70.37 21.87 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.712 0.291 . . . . 0.0 111.187 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.565 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -136.28 -59.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.855 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.7 p -178.65 -39.43 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.71 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 164.86 49.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.821 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.9 m -122.58 127.09 48.98 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.034 0.445 . . . . 0.0 111.614 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.572 ' HA ' ' HG3' ' A' ' 99' ' ' LYS . 28.9 p -57.67 137.35 56.54 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.56 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.2 t -138.3 132.35 41.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.278 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.38 149.57 10.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.539 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.61 -12.41 58.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.84 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -84.58 -16.51 41.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.148 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.404 ' HG3' HD13 ' A' ' 96' ' ' LEU . 5.9 tt0 -81.2 -46.6 14.59 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.992 -178.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.419 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.84 -45.68 10.09 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -178.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -78.31 -46.92 18.91 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -177.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.9 tmtp? -65.96 -40.52 91.36 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -62.16 -47.49 84.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.655 0.264 . . . . 0.0 111.467 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 95' ' ' THR . 4.0 mp -100.48 41.5 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.169 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.006 179.82 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.469 0.176 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -56.35 -33.14 90.84 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.453 2.102 . . . . 0.0 112.271 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.39 -24.76 60.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -78.4 -48.39 15.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.95 -27.43 68.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.82 -46.71 13.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.688 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.435 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 14.1 mtp180 -61.47 -32.78 72.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.316 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.445 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 27.5 m -78.47 -42.66 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.702 0.287 . . . . 0.0 111.398 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.19 -27.14 69.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.91 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.1 m -95.01 -1.88 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.095 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 11.2 tttt -123.4 42.49 3.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 11.3 mm100 -116.08 -47.56 2.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.899 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.529 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -179.84 -40.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.422 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.529 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 4.3 mptt -156.18 152.94 28.47 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.892 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 179.61 -29.23 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.69 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m 63.81 130.6 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.022 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -77.02 58.67 1.55 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.978 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -133.95 -62.05 0.78 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.731 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -68.7 -43.52 75.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.639 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.95 -31.33 71.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.87 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.8 m -74.2 -57.87 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.514 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -51.54 -42.68 61.96 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.768 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -63.24 -45.33 92.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.38 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.89 -46.26 78.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.451 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.78 -41.94 94.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.673 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -59.67 -43.79 93.84 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.204 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -59.83 -48.57 81.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.925 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 98.3 mt -55.33 -49.45 72.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.185 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -54.78 -45.04 74.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.66 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -58.41 -45.88 87.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.215 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -56.72 -31.21 64.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.789 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.6 mt -77.12 -17.92 58.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.959 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -65.94 -4.97 7.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.75 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.53 116.47 18.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.405 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -77.23 58.78 1.66 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.376 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.49 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 6.6 mm-40 -120.35 136.77 54.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.599 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.515 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 2.4 m -53.65 -49.76 87.11 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.779 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.515 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 32.1 Cg_exo -58.89 -21.16 56.2 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.178 1.918 . . . . 0.0 112.479 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -84.76 -36.71 21.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.147 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -70.13 -24.75 63.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.939 0.399 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 64.4 mtt -68.41 -32.24 72.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.344 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.14 -30.51 62.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.546 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.6 m -64.4 -50.93 65.71 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.096 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.4 mt -59.62 -40.66 82.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.981 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -26.84 68.03 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.136 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -81.34 -40.35 23.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.348 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.2 tt -69.88 -27.25 32.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.752 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -77.24 -31.32 55.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.792 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.64 -37.13 28.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.339 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -72.7 -48.38 39.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.496 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.481 HH21 HD11 ' A' ' 97' ' ' ILE . 9.3 mtp180 -51.5 -47.6 63.19 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.278 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -62.64 -45.56 92.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.436 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.53 -36.4 83.69 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -178.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.581 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.65 -54.06 4.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 111.843 -178.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.497 HG23 ' HA ' ' A' ' 102' ' ' ALA . 64.9 mt -52.21 -46.07 44.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.248 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.477 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 3.8 mttp -50.71 -47.3 59.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.693 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.477 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 21.8 p90 179.77 95.85 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.131 0.491 . . . . 0.0 111.071 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.581 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.6 OUTLIER -179.11 -100.28 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.276 179.596 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -131.69 63.35 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.888 0.375 . . . . 0.0 111.296 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -56.05 -31.38 63.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.042 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.582 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 69.3 mt-30 -72.14 -21.95 61.38 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -72.89 -18.97 61.36 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.05 -43.59 12.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.321 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.582 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.6 OUTLIER -69.64 -18.47 63.59 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.652 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -79.59 -58.42 3.2 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.463 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -58.94 -29.6 67.25 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.652 178.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.551 HD13 ' HG ' ' A' ' 96' ' ' LEU . 11.3 mt -76.38 -41.83 46.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.746 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.415 ' HA ' ' HZ ' ' A' ' 115' ' ' PHE . 30.1 mttt -53.13 -44.72 67.95 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.729 178.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.34 -42.22 62.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.38 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.97 -41.89 47.65 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.181 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.54 -48.34 79.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.327 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -65.97 -23.57 66.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.888 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.639 ' HA ' HD12 ' A' ' 79' ' ' ILE . 12.9 tttm -81.48 -51.76 7.95 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.441 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.84 -28.33 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.037 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' A' ' 80' ' ' LYS . 11.6 mt-10 -61.76 -46.45 89.54 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 76' ' ' LYS . 4.4 mt -57.09 -9.51 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.482 178.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 79.12 116.54 0.06 Allowed 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.073 179.52 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 175.43 -34.6 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.192 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.62 40.34 2.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.721 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -63.91 -14.84 56.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.84 -37.49 55.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.024 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -66.18 -25.67 67.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.997 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -76.5 -56.64 4.44 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.104 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 38.6 mt-10 -62.18 -18.21 60.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.677 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.421 ' HA ' ' HB2' ' A' ' 91' ' ' GLN . 33.2 mt -85.24 -60.4 2.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.31 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.573 HG13 ' HB ' ' A' ' 94' ' ' ILE . 25.1 t -47.5 -31.39 2.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.537 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.3 p -87.53 -40.71 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.809 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.439 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 1.1 mt-30 -46.39 -28.63 1.4 Allowed 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.424 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.59 -44.78 9.32 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 178.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 120.62 35.28 0.86 Allowed Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.386 -0.825 . . . . 0.0 113.179 177.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.573 ' HB ' HG13 ' A' ' 89' ' ' VAL . 5.8 mt -89.17 153.36 3.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.619 0.247 . . . . 0.0 110.356 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.8 p -136.13 174.55 10.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.872 0.367 . . . . 0.0 111.167 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.582 HD22 ' H ' ' A' ' 97' ' ' ILE . 0.1 OUTLIER -76.27 -169.93 1.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.272 0.558 . . . . 0.0 111.161 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.582 ' H ' HD22 ' A' ' 96' ' ' LEU . 1.3 mp -72.0 117.77 15.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.878 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -103.87 152.01 22.44 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.255 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.499 ' HG2' ' H ' ' A' ' 107' ' ' VAL . 30.6 mttm -19.12 -98.33 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.083 -0.962 . . . . 0.0 113.539 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -70.98 -3.21 18.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.675 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -79.43 3.5 18.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.202 0.525 . . . . 0.0 109.674 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.497 ' HA ' HG23 ' A' ' 58' ' ' ILE . . . -128.72 -79.42 0.57 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.442 ' C ' ' H ' ' A' ' 105' ' ' SER . 3.5 t 165.19 -32.73 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.737 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.94 10.79 0.31 Allowed Glycine 0 CA--C 1.519 0.336 0 CA-C-N 115.98 -0.555 . . . . 0.0 114.003 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.442 ' H ' ' C ' ' A' ' 103' ' ' SER . 6.5 m 66.26 -101.15 0.07 Allowed 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 117.411 0.606 . . . . 0.0 111.501 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.5 p -70.48 131.18 43.65 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.412 0.625 . . . . 0.0 112.036 -179.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.499 ' H ' ' HG2' ' A' ' 99' ' ' LYS . 3.2 t -131.75 135.96 57.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.211 178.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.75 146.76 4.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.855 -0.612 . . . . 0.0 112.16 -178.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -84.28 -13.71 51.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.454 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.658 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 27.3 mt-10 -85.19 -18.42 34.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.729 -178.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.457 ' HG3' HD23 ' A' ' 96' ' ' LEU . 9.3 tt0 -82.61 -48.35 11.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.283 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -87.76 -41.15 13.51 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -87.33 -46.53 9.59 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.658 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -64.66 -40.58 95.68 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -177.786 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.415 ' HZ ' ' HA ' ' A' ' 71' ' ' LYS . 12.4 m-85 -59.29 -39.14 82.06 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.6 mp -95.42 15.11 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.42 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.156 179.765 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.36 0.124 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -60.84 -34.66 91.07 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.588 2.192 . . . . 0.0 112.495 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.31 -30.76 67.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.195 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -81.25 -44.5 17.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.076 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -63.43 -27.61 69.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.976 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -82.41 -45.71 14.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.73 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -62.69 -31.87 72.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.235 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.518 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 14.9 p -78.61 -39.96 23.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.225 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -25.88 66.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.847 0.355 . . . . 0.0 110.631 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.3 m -96.73 -2.88 10.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.558 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -102.84 -47.03 4.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.427 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -83.46 -0.02 48.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.928 -179.645 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -169.44 128.48 0.99 Allowed 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -178.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -83.45 81.15 8.85 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.755 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.12 22.17 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.083 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m 65.13 138.02 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.278 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -79.01 57.86 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.57 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -128.26 -68.33 0.77 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.132 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.65 -46.26 90.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.063 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.84 -42.21 97.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.283 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.428 ' HB2' ' NH1' ' A' ' 65' ' ' ARG . 0.3 OUTLIER -65.36 -53.75 38.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.754 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -52.2 -49.4 63.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -56.1 -47.36 78.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.46 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.71 -49.74 72.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.54 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.34 -43.31 82.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.05 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.66 -45.49 93.93 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.749 0.309 . . . . 0.0 110.281 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -55.64 -47.63 76.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.695 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.5 mt -56.3 -49.63 75.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.229 178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -54.18 -45.38 72.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.746 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -59.61 -47.23 86.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.259 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -54.67 -32.01 58.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.113 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mt -71.3 -18.84 62.39 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.775 0.322 . . . . 0.0 111.239 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.02 -10.85 56.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.825 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.29 109.38 13.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.683 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.414 ' HA ' ' HE2' ' A' ' 43' ' ' PHE . 3.1 t-20 -76.08 62.01 1.62 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.424 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.526 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 5.8 mm-40 -120.77 161.96 20.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.564 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.549 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 21.2 m -72.05 -49.01 10.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.845 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.549 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 26.8 Cg_exo -62.44 -20.93 71.98 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.192 1.928 . . . . 0.0 112.411 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -86.24 -51.33 6.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.05 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.414 ' HE2' ' HA ' ' A' ' 38' ' ' ASN . 5.5 m-85 -63.76 -28.34 69.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.575 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.7 mtt -61.41 -24.7 66.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.121 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.17 -55.43 5.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.162 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.03 -49.55 6.09 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.65 178.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.2 mt -55.23 -49.36 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.068 0.461 . . . . 0.0 110.216 178.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.46 -18.91 65.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.294 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -81.74 -48.05 12.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.078 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.73 -23.23 30.43 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.109 0 CA-C-O 121.185 0.517 . . . . 0.0 109.757 179.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -77.15 -55.0 5.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.33 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.24 -33.03 71.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.251 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.408 ' HB3' ' HE1' ' A' ' 66' ' ' PHE . 2.0 t80 -76.34 -56.02 5.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.837 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 55' ' ' GLU . 4.3 ppt_? -55.16 -31.59 61.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.547 -179.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 22.4 tt0 -72.55 -54.46 9.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.753 0.311 . . . . 0.0 111.194 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.97 -20.84 66.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.482 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -83.95 -60.34 2.14 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.133 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.436 HG13 ' H ' ' A' ' 59' ' ' LYS . 1.4 pp -57.75 -37.27 58.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.893 0.378 . . . . 0.0 110.392 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.463 ' HB3' ' CD1' ' A' ' 60' ' ' PHE . 17.7 mttt -50.78 -55.94 14.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.502 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 59' ' ' LYS . 25.5 p90 178.59 67.11 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.17 0.509 . . . . 0.0 111.309 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.482 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 4.1 m -158.66 -111.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.495 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.416 ' HB3' ' HB3' ' A' ' 65' ' ' ARG . 2.0 mm-40 -104.39 79.63 1.6 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.867 0.365 . . . . 0.0 111.309 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.426 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -80.01 -44.96 19.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.732 179.626 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.583 ' HA ' HD22 ' A' ' 67' ' ' ASN . 61.3 mt-30 -67.79 -24.53 65.33 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.741 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.428 ' NH1' ' HB2' ' A' ' 24' ' ' SER . 1.8 ttt180 -72.92 -20.13 61.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.67 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.408 ' HE1' ' HB3' ' A' ' 53' ' ' PHE . 1.8 t80 -87.13 -44.82 11.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.501 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.583 HD22 ' HA ' ' A' ' 64' ' ' GLN . 0.5 OUTLIER -65.85 -18.39 65.3 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.619 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -79.05 -57.83 3.54 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.5 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -62.03 -33.42 74.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.743 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.481 HD12 HD22 ' A' ' 96' ' ' LEU . 8.6 mt -65.4 -46.1 81.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.163 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -55.97 -46.35 78.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.544 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.99 -43.25 68.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.048 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.2 tp -54.46 -51.41 65.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.464 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.455 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -49.44 -47.61 48.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.448 179.536 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -65.74 -31.79 72.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.222 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -68.8 -43.12 76.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.734 HG23 ' HA ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -68.81 -28.46 39.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.027 0.442 . . . . 0.0 110.129 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -75.77 -16.71 60.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.17 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.0 mt -120.75 -60.63 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 81' ' ' GLN . 24.2 tttt -35.99 -70.88 0.08 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -178.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.43 ' C ' ' H ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER 160.24 -21.88 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.247 0.342 . . . . 0.0 110.886 -178.167 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.507 ' HG ' ' HA ' ' A' ' 77' ' ' VAL . 0.6 OUTLIER -74.71 42.31 0.17 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.989 0.423 . . . . 0.0 111.147 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.734 ' HA ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -62.86 -19.82 64.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.925 179.831 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 -73.78 -25.39 60.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.638 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.41 ' O ' HG21 ' A' ' 88' ' ' ILE . 18.7 t80 -60.95 -44.6 97.06 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.593 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.534 ' HB2' HG22 ' A' ' 77' ' ' VAL . 3.7 t-105 -53.37 -47.21 69.65 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -64.41 -34.02 77.21 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.41 HG21 ' O ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -74.74 -18.4 16.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.477 178.828 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 75.8 t -87.41 -35.25 8.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.06 -178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.1 p -82.63 -36.69 13.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.816 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -58.44 -46.14 87.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.124 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.05 -1.95 6.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.751 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.66 9.07 86.4 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.025 -0.607 . . . . 0.0 113.088 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.2 mm -66.61 129.83 31.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.795 0.297 . . . . 0.0 110.72 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.408 HG21 HD22 ' A' ' 116' ' ' LEU . 49.1 p -121.82 149.53 43.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.495 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.481 HD22 HD12 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -55.18 177.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.277 179.778 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.434 ' O ' HG11 ' A' ' 107' ' ' VAL . 1.5 mp -74.61 121.23 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.617 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.57 142.34 33.08 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.608 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.607 ' HB3' ' H ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -36.46 -85.53 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.51 179.737 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -52.55 -18.27 1.64 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.755 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.71 13.27 2.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 110.483 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.74 21.59 6.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.6 m 60.02 76.36 0.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.993 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 64.35 36.25 92.97 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.266 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.3 113.04 15.75 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 120.943 0.401 . . . . 0.0 110.919 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.409 ' HA ' ' HB3' ' A' ' 99' ' ' LYS . 58.8 m -65.79 145.04 56.46 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.513 0.673 . . . . 0.0 111.033 -179.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.607 ' H ' ' HB3' ' A' ' 99' ' ' LYS . 1.9 t -142.43 142.3 27.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.166 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.416 ' N ' HG12 ' A' ' 107' ' ' VAL . 0.3 OUTLIER -55.74 149.53 14.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.202 -179.087 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.0 -12.96 58.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.248 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -84.56 -16.26 42.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.003 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -79.74 -47.24 15.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.969 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.481 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.86 -48.25 7.96 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 48.5 tttt -70.08 -46.92 63.88 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -66.48 -35.91 81.44 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.0 0.371 . . . . 0.0 112.0 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -69.05 -47.59 64.96 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.408 HD22 HG21 ' A' ' 95' ' ' THR . 0.4 OUTLIER -81.69 14.97 2.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.527 -179.234 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.88 179.771 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.45 HD21 ' HB3' ' A' ' 6' ' ' ALA . 3.4 t30 . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.449 0.166 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -57.56 -29.41 84.91 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.528 2.152 . . . . 0.0 112.37 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.45 ' HB3' HD21 ' A' ' 4' ' ' ASN . . . -69.45 -28.12 65.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -79.84 -47.38 15.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -65.08 -27.4 68.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -75.32 -51.89 12.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -59.96 -28.43 67.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 80.1 t -83.6 -46.9 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.114 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 tt -56.68 -23.94 45.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.337 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.4 m -94.22 -47.39 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.49 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -86.2 52.07 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.14 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.436 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 1.8 mm-40 -116.26 -48.32 2.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.022 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER 172.91 -34.95 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.734 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.488 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -167.74 143.76 4.03 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.241 -179.57 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 174.71 -25.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.98 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 t 70.33 119.78 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.561 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -56.39 -36.64 69.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.326 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -48.94 -60.35 2.83 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -55.82 -50.75 69.67 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.59 -32.6 73.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.433 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.423 ' HB2' ' HZ ' ' A' ' 53' ' ' PHE . 6.1 p -69.65 -54.0 16.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.437 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -54.36 -46.45 72.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.557 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -58.88 -48.96 79.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.71 -49.3 75.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.96 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.2 tp -60.69 -36.55 71.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.201 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -64.41 -45.86 85.77 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.47 -44.49 89.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.774 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.1 mt -57.34 -50.39 77.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.148 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.14 -44.78 71.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.643 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -59.31 -45.92 89.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.199 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -55.37 -31.55 61.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.725 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mt -76.56 -18.56 58.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.115 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.3 -5.7 11.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.782 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.09 110.76 15.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.555 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -76.99 61.98 2.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.327 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.532 ' HB2' ' HB2' ' A' ' 42' ' ' TYR . 2.6 mt-10 -107.44 170.28 8.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.694 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.476 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 27.0 m -81.19 -49.68 1.0 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.927 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.476 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 93.5 Cg_endo -78.29 -0.51 10.77 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.208 1.939 . . . . 0.0 112.783 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.532 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 1.6 m-85 -85.8 -31.28 22.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.244 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -76.04 -23.45 55.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.897 0.38 . . . . 0.0 110.645 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 57.9 mtt -66.68 -33.53 75.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.389 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -75.89 -29.22 58.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.567 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.38 -51.19 59.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.191 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mt -60.07 -41.26 85.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.365 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.2 -22.98 66.36 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.948 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 m -85.74 -46.58 10.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.194 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.68 -21.18 28.0 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-O 120.993 0.425 . . . . 0.0 110.245 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -77.84 -54.18 6.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.036 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.18 -32.42 73.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.83 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.423 ' HZ ' ' HB2' ' A' ' 24' ' ' SER . 0.2 OUTLIER -73.9 -57.13 4.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.951 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.8 mtp-105 -54.69 -34.53 62.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.995 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -68.59 -56.98 6.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.485 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -64.84 -23.74 67.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.697 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.523 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.68 -61.21 1.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 111.684 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.494 HG12 HG13 ' A' ' 97' ' ' ILE . 57.8 mt -56.53 -40.89 71.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.664 -179.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.473 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 1.0 OUTLIER -53.65 -46.97 70.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.858 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.473 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 18.8 p90 -174.65 89.93 0.06 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.142 0.496 . . . . 0.0 111.244 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.523 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -176.9 -98.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.336 179.66 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -132.62 65.08 1.59 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.024 0.44 . . . . 0.0 110.73 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.73 -32.89 32.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.556 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -78.33 -23.84 46.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.814 0.34 . . . . 0.0 111.221 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 -65.53 -24.69 67.18 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.492 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -89.5 -43.51 10.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.213 179.663 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -66.67 -18.07 65.17 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.628 0.727 . . . . 0.0 109.369 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -77.29 -57.83 3.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.184 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -64.65 -27.35 68.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.583 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.525 HD12 HD22 ' A' ' 96' ' ' LEU . 1.5 mt -69.22 -49.21 58.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.325 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -54.68 -40.51 69.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.657 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.9 -44.27 32.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.407 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.0 tp -57.59 -47.51 81.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -57.04 -54.44 46.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.274 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.95 -33.41 75.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.231 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -66.25 -58.07 6.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.995 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.5 m -65.88 -18.19 23.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.681 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.57 -56.1 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.328 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.3 mt -77.5 56.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.0 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.11 114.14 0.05 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.363 0.601 . . . . 0.0 111.72 178.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 169.56 -85.16 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.678 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.61 73.36 1.34 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -71.98 -15.78 62.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.652 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -65.33 -41.59 93.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -63.22 -24.77 68.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.769 0.318 . . . . 0.0 110.646 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 -78.4 -48.76 14.81 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.539 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -63.35 -19.78 64.93 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.294 0.569 . . . . 0.0 109.816 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 59.9 mt -85.56 -61.21 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.955 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.402 ' O ' ' HB ' ' A' ' 94' ' ' ILE . 40.1 t -48.92 -31.21 3.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.493 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.4 p -78.7 -48.9 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.805 0.336 . . . . 0.0 110.447 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.426 ' C ' ' H ' ' A' ' 93' ' ' GLY . 25.6 tt0 -55.17 -36.34 65.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.742 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.474 ' HB3' HG12 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -67.21 2.98 1.33 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.386 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' ' 91' ' ' GLN . . . 79.14 -1.73 73.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.265 179.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.474 HG12 ' HB3' ' A' ' 92' ' ' ASP . 12.1 mm -61.79 130.64 26.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 117.099 0.45 . . . . 0.0 110.777 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.3 p -119.38 145.81 45.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.369 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.525 HD22 HD12 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -48.63 172.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.62 179.578 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.494 HG13 HG12 ' A' ' 58' ' ' ILE . 1.7 mp -65.93 109.98 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.362 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.443 ' HB ' ' HG3' ' A' ' 101' ' ' GLU . 0.2 OUTLIER -91.33 134.82 34.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.54 -179.619 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.558 ' HB2' ' HA ' ' A' ' 105' ' ' SER . 0.0 OUTLIER -46.43 -52.49 12.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.712 179.51 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.413 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 18.8 tt0 -62.94 -26.51 68.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.513 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.443 ' HG3' ' HB ' ' A' ' 98' ' ' THR . 8.3 mt-10 -76.84 -15.95 59.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.402 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.27 14.54 19.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.372 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 49.82 15.19 0.15 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.923 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -132.41 -6.88 2.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.594 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.558 ' HA ' ' HB2' ' A' ' 99' ' ' LYS . 11.2 t 54.12 47.43 23.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.769 0.319 . . . . 0.0 111.043 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 t -123.3 89.71 3.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.519 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.412 ' N ' ' HB3' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -173.09 148.64 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.377 179.372 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.9 153.41 20.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.089 0.471 . . . . 0.0 112.072 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.04 -12.82 60.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.753 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.4 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 38.5 mt-10 -81.49 -17.05 49.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.602 -179.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.436 ' HG3' HD11 ' A' ' 96' ' ' LEU . 5.3 tt0 -86.8 -48.71 7.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.535 -179.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.466 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.7 -36.33 17.45 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -178.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -87.07 -47.59 8.79 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 2.6 tmtt? -63.12 -33.49 75.56 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -178.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -71.02 -47.2 60.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.691 0.281 . . . . 0.0 111.567 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.63 19.93 1.52 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.291 -179.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.901 179.693 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.3 t30 . . . . . 0 CA--C 1.529 0.16 0 CA-C-O 120.445 0.164 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.97 -35.89 97.8 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.492 2.128 . . . . 0.0 112.361 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.01 -38.0 82.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.229 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -69.88 -49.21 54.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.135 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -58.31 -34.77 70.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.981 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -74.1 -46.34 43.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.605 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -58.2 -40.11 80.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.467 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.527 ' HA ' ' HB2' ' A' ' 14' ' ' LYS . 16.3 m -75.49 -42.79 42.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.388 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.429 ' HG ' ' HB3' ' A' ' 17' ' ' LYS . 2.1 tp -56.12 -34.68 66.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.6 m -95.44 -13.34 8.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.277 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.527 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 2.0 tttm -65.06 -37.21 86.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.863 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.58 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 7.0 pt20 -94.5 -50.44 5.21 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.578 -179.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.58 ' HB3' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER 135.67 28.04 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.836 0 O-C-N 124.371 1.045 . . . . 0.0 110.105 179.685 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.429 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -54.39 -81.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.143 -179.252 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.66 -78.16 0.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.341 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 3.0 t 163.26 -69.4 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.487 -179.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 19' ' ' SER . 7.6 t80 176.25 -51.65 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.645 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.43 -59.44 4.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.088 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.88 -50.53 68.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.728 0.299 . . . . 0.0 111.611 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.06 -32.2 73.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.1 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.5 m -68.37 -54.17 19.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.422 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -53.71 -44.75 70.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.401 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -61.47 -47.09 87.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.753 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.63 -46.93 83.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.036 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -34.65 71.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -65.45 -45.64 82.98 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.985 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -58.89 -45.23 90.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.885 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.75 -49.73 79.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.167 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -53.42 -45.53 69.41 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.623 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -59.23 -45.47 91.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.194 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -55.45 -31.18 61.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.494 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 mt -81.96 -20.01 39.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.786 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.61 -1.24 18.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.029 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.55 128.72 27.71 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -77.02 118.04 19.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.541 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -166.44 153.0 9.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.785 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.548 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 4.3 m -81.06 -50.17 0.99 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.659 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.548 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 11.5 Cg_exo -70.95 -8.38 23.48 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.364 2.043 . . . . 0.0 112.35 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -84.32 -43.72 14.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.091 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -63.91 -29.37 70.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.681 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 62.4 mtt -66.21 -32.33 73.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.365 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -76.15 -27.01 56.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.537 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.53 -52.29 33.72 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.918 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.42 ' O ' HG22 ' A' ' 50' ' ' ILE . 12.4 mt -59.6 -41.41 84.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.178 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.31 -24.43 66.42 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.88 179.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.74 -48.48 9.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.495 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 47' ' ' ILE . 11.6 tt -61.42 -23.45 30.55 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.098 0 CA-C-O 120.99 0.424 . . . . 0.0 110.623 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.3 mtm-85 -75.7 -54.64 6.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.055 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.1 -30.39 70.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.666 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -72.67 -57.57 4.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.376 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 55' ' ' GLU . 3.4 ptt180 -59.67 -33.21 71.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.404 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 8.8 mt-10 -66.53 -58.62 4.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.6 -24.32 66.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.074 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.486 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -87.02 -61.52 1.71 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -178.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.483 HD12 HG12 ' A' ' 97' ' ' ILE . 34.9 mm -54.59 -40.98 52.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.27 -179.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 7.8 mmtt -52.75 -47.19 67.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.972 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -173.26 84.1 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.778 0.323 . . . . 0.0 111.643 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.486 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 8.1 t -171.9 -98.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.641 179.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -129.98 66.33 1.48 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.861 0.362 . . . . 0.0 111.049 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -51.71 -35.33 42.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.675 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.581 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 22.0 tt0 -65.72 -19.62 65.97 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.92 0.391 . . . . 0.0 111.185 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -74.78 -21.25 59.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.049 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -86.41 -48.65 8.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.189 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.581 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.7 OUTLIER -63.36 -18.31 63.53 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 178.554 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -77.06 -57.53 3.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.676 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -62.65 -33.74 75.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.162 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.9 mt -65.26 -51.59 59.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.608 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -53.26 -45.48 68.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.578 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.63 -43.49 80.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.611 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 tp -50.66 -42.06 56.19 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.462 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.442 ' HA ' HG13 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -65.06 -49.44 70.07 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.255 179.14 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.74 -27.97 69.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.234 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.665 ' HA ' HD12 ' A' ' 79' ' ' ILE . 35.6 mttt -81.59 -54.15 5.65 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.117 0.484 . . . . 0.0 110.522 -179.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.442 HG13 ' HA ' ' A' ' 74' ' ' GLN . 12.9 p -53.61 -29.71 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.44 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.445 ' C ' ' H ' ' A' ' 80' ' ' LYS . 7.1 mt-10 -62.51 -49.13 76.57 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.665 HD12 ' HA ' ' A' ' 76' ' ' LYS . 4.5 mt -57.39 -7.74 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.64 178.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.445 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 79.75 114.48 0.06 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.22 179.411 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 179.15 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.477 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.37 41.71 3.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.79 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -59.48 -17.07 28.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.844 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.27 -38.09 19.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.057 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -62.72 -27.49 69.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.166 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.456 ' HA ' HG11 ' A' ' 89' ' ' VAL . 48.1 t-105 -80.66 -49.84 10.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.752 0.311 . . . . 0.0 110.802 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -62.02 -22.03 65.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.003 0.43 . . . . 0.0 110.259 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 61.1 mt -86.42 -58.89 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.837 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.532 HG22 ' HB ' ' A' ' 94' ' ' ILE . 5.4 p -48.21 -33.18 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.559 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.482 ' N ' HG13 ' A' ' 89' ' ' VAL . 9.9 p -78.78 -47.11 23.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.859 0.361 . . . . 0.0 110.327 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -54.69 -38.55 67.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.705 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.06 -0.21 5.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.05 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.7 8.02 87.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.975 -0.631 . . . . 0.0 113.208 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.532 ' HB ' HG22 ' A' ' 89' ' ' VAL . 44.9 mt -67.75 130.53 33.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 117.168 0.484 . . . . 0.0 110.73 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.1 p -94.86 -166.03 1.4 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.355 -179.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.534 ' O ' ' HB ' ' A' ' 97' ' ' ILE . 0.4 OUTLIER -109.07 8.58 26.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.96 -179.189 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.534 ' HB ' ' O ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER 82.07 128.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.471 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.482 ' O ' ' HB2' ' A' ' 101' ' ' GLU . 0.2 OUTLIER -110.05 147.47 33.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.561 -179.419 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.507 ' HG3' ' H ' ' A' ' 100' ' ' GLU . 5.9 ptpt -36.97 -67.54 0.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 179.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.507 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 3.5 tt0 -57.22 -14.58 4.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -177.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.482 ' HB2' ' O ' ' A' ' 98' ' ' THR . 3.2 mt-10 -60.74 -3.45 0.73 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.987 0.422 . . . . 0.0 110.696 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.489 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -118.44 -159.79 0.77 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.44 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.8 t -78.64 -0.46 30.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.725 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.93 67.41 0.16 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.08 -0.581 . . . . 0.0 111.844 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.4 m -126.94 125.22 41.17 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 121.132 0.491 . . . . 0.0 111.715 -179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.6 m -56.83 138.01 54.04 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.052 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.438 HG23 ' HA ' ' A' ' 99' ' ' LYS . 23.0 t -141.38 118.5 7.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.866 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.444 HG21 ' H ' ' A' ' 110' ' ' GLU . 1.1 t -47.86 150.51 1.08 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.832 -178.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.12 -11.69 59.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.149 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.444 ' H ' HG21 ' A' ' 108' ' ' THR . 26.4 mt-10 -79.94 -16.65 54.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.965 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -80.98 -51.26 8.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.146 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.522 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -86.84 -40.6 14.76 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -178.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -80.61 -48.51 12.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -33.25 75.43 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.426 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . 16.7 m-85 -75.3 -47.97 25.37 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.86 -35.35 62.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.642 -0.253 . . . . 0.0 111.601 -178.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.264 -179.859 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.401 ' HB3' ' HB2' ' A' ' 7' ' ' GLU . 2.9 t-20 . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.405 0.145 . . . . 0.0 110.637 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.499 ' HB2' ' HG ' ' A' ' 49' ' ' CYS . 32.1 Cg_exo -58.85 -33.68 98.67 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.471 2.114 . . . . 0.0 112.436 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.63 -18.67 37.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.94 0.4 . . . . 0.0 111.26 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.401 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 7.9 mt-10 -85.13 -37.15 20.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.096 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.2 -29.3 24.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.494 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.428 ' HA ' HD23 ' A' ' 12' ' ' LEU . 10.1 t80 -76.02 -46.71 27.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.232 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -63.37 -40.38 97.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.676 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.1 p -68.18 -37.32 77.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.33 0.492 . . . . 0.0 112.33 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.433 HD12 ' HB1' ' A' ' 23' ' ' ALA . 0.7 OUTLIER -76.76 -26.19 54.25 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.136 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.0 m -95.01 -9.73 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.662 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -100.47 -24.19 14.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.311 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.481 ' HG3' ' HG2' ' A' ' 16' ' ' LYS . 3.4 pt20 -54.98 -32.91 62.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.924 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.598 ' HG3' ' H ' ' A' ' 17' ' ' LYS . 9.3 pttp -169.54 -58.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.99 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.598 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER 176.6 -23.48 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.177 -179.649 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 37.26 -97.58 0.02 OUTLIER 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.738 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.6 p -172.12 109.52 0.24 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.81 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -74.96 51.95 0.53 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.29 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -136.26 -58.46 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.53 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.35 -40.57 67.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.461 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.433 ' HB1' HD12 ' A' ' 12' ' ' LEU . . . -66.48 -33.64 76.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.883 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.2 m -76.13 -56.61 4.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.416 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -50.9 -44.64 60.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.748 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -63.36 -43.22 98.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.384 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.85 -47.7 79.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.486 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.53 -34.3 66.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.709 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -64.97 -44.22 90.07 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.754 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -60.11 -45.21 93.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.712 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.0 mt -56.69 -50.1 75.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.016 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -54.62 -44.04 72.77 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.579 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -59.24 -45.65 90.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.124 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -55.5 -31.98 62.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.789 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.5 mt -73.74 -18.4 60.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.121 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -66.66 -8.49 27.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.607 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.05 114.18 16.75 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.392 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -76.97 60.6 1.83 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.437 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.494 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 6.1 mm-40 -118.7 141.0 49.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.65 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.524 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 3.1 m -57.89 -49.53 93.16 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.95 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.524 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 32.6 Cg_exo -59.56 -19.37 52.05 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 122.273 1.982 . . . . 0.0 112.495 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -86.17 -38.4 17.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.214 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -67.97 -24.3 65.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.781 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 60.4 mtt -69.73 -30.32 67.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.428 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -76.16 -29.74 57.86 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.662 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.2 m -68.21 -51.64 43.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.259 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mt -58.5 -40.99 80.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.14 178.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -24.27 67.63 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.036 179.175 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.499 ' HG ' ' HB2' ' A' ' 5' ' ' PRO . 3.1 m -80.01 -38.71 31.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.045 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -72.95 -25.24 21.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.569 179.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.27 -30.67 48.66 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.637 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.89 -35.85 31.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.087 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.69 -48.6 30.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.616 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -53.28 -41.9 66.04 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.311 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 6.8 tt0 -67.17 -49.42 64.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.42 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.87 -30.56 71.19 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.511 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -86.09 -57.35 3.06 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.44 ' HA ' ' HB3' ' A' ' 63' ' ' GLU . 62.3 mt -55.19 -43.45 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.269 -179.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 2.2 mmtp -50.43 -50.52 51.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.969 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -175.14 84.73 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 120.797 0.332 . . . . 0.0 111.708 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.511 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 4.0 t -169.71 -97.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.603 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.689 ' HB3' ' HB3' ' A' ' 65' ' ' ARG . 2.5 mm-40 -133.92 64.29 1.61 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.017 0.437 . . . . 0.0 111.05 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.44 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -54.13 -34.39 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.305 179.633 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.589 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 58.4 mt-30 -71.88 -23.13 61.45 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.55 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.689 ' HB3' ' HB3' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -73.17 -17.59 61.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.171 0.51 . . . . 0.0 109.846 179.625 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.515 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -87.93 -45.21 10.44 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.171 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.589 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.7 OUTLIER -70.9 -20.93 62.44 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.085 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -69.48 -58.27 4.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.05 178.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -68.83 -26.18 65.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.95 178.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.515 ' HB2' ' O ' ' A' ' 66' ' ' PHE . 2.6 mt -66.35 -47.57 73.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.432 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -58.56 -40.7 83.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.82 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.46 -45.53 45.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.034 0.445 . . . . 0.0 111.261 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.0 tp -57.7 -51.74 68.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -51.24 -51.07 57.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.343 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -64.01 -44.51 92.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -58.68 -54.64 44.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.272 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.411 HG11 ' HG ' ' A' ' 82' ' ' LEU . 1.1 m -67.48 -27.73 39.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.765 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.14 -51.07 70.8 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.849 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.7 mt -64.1 -82.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.806 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -153.41 108.84 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -177.16 -80.63 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.246 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.411 ' HG ' HG11 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -142.4 71.55 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.945 179.511 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -70.95 -25.14 62.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.574 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.93 -39.72 95.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.712 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -63.56 -24.61 67.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.556 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 48.9 t-105 -79.01 -50.79 10.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.674 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -63.32 -18.59 63.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.211 0.529 . . . . 0.0 109.967 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 53.3 mt -85.76 -61.94 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.106 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 53.4 t -50.4 -28.99 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.515 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 13.2 p -81.78 -49.9 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.649 0.261 . . . . 0.0 110.623 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.414 ' C ' ' H ' ' A' ' 93' ' ' GLY . 2.7 mm-40 -53.36 -31.55 45.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.57 9.75 1.0 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.379 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 91' ' ' GLN . . . 75.63 -7.34 26.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.868 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 9.3 mt -67.41 138.93 21.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.764 0.316 . . . . 0.0 110.722 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.438 ' HA ' HD13 ' A' ' 116' ' ' LEU . 1.5 t -130.91 164.87 24.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.996 0.427 . . . . 0.0 111.513 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.463 HD23 HD11 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -57.14 176.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.398 -179.777 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.2 mp -71.5 120.76 20.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.703 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.81 146.84 28.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.552 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.473 ' HG3' ' H ' ' A' ' 100' ' ' GLU . 5.0 ptpt -40.66 -79.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.349 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.568 ' C ' ' H ' ' A' ' 102' ' ' ALA . 12.5 tt0 -56.68 -21.51 28.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.156 -178.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.51 3.81 0.07 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.729 0.3 . . . . 0.0 111.351 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.568 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -144.64 -49.24 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.395 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 t -178.56 -175.09 0.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.162 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -72.19 56.6 1.5 Allowed Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.32 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.6 m -115.75 128.46 55.88 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 120.805 0.336 . . . . 0.0 110.758 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.8 m -59.33 129.94 44.48 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.425 0.631 . . . . 0.0 111.241 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.3 t -134.03 125.42 48.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.608 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -47.86 148.29 1.68 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.884 -178.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.24 -12.76 56.46 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.123 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.442 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 24.9 mt-10 -84.36 -17.06 40.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.408 -178.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -82.96 -46.7 12.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.16 -179.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.428 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.71 -42.27 12.76 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -178.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.64 -46.9 11.83 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -177.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 6.4 tmtm? -64.0 -39.8 94.92 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -64.25 -47.15 80.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.682 0.277 . . . . 0.0 111.593 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 95' ' ' THR . 3.8 mp -95.4 35.28 1.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.253 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.019 179.743 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.444 0.164 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -49.85 -31.97 28.26 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.636 2.224 . . . . 0.0 112.714 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.36 -38.89 85.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.208 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -77.39 -42.49 36.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -62.53 -33.26 74.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.31 -44.16 30.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.591 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.404 HH21 ' HA ' ' A' ' 52' ' ' ALA . 45.6 mtt180 -61.33 -35.18 76.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.441 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.412 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 30.4 m -80.0 -40.22 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.628 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.422 HD21 ' HB1' ' A' ' 18' ' ' ALA . 1.2 tt -63.33 -27.37 69.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 111.041 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.7 m -95.62 -4.46 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.3 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -119.94 44.88 2.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.421 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 10.9 mm100 -116.13 -47.9 2.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.83 0.348 . . . . 0.0 110.783 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.497 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER 176.82 -36.38 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.113 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.497 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 89.2 mttt -156.6 151.93 26.58 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.71 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.422 ' HB1' HD21 ' A' ' 12' ' ' LEU . . . 179.13 -28.39 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.824 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 t 63.68 130.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.036 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -79.9 58.72 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.61 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -132.94 -64.73 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.068 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.53 -42.3 78.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.44 -31.34 71.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.52 -58.14 3.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.687 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -51.97 -45.29 64.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.924 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -61.49 -43.73 98.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.577 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.76 -46.45 84.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.678 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.8 mt -62.41 -41.98 93.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.835 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -60.72 -44.73 96.26 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.332 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -57.67 -46.91 83.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.083 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.4 mt -58.46 -48.59 84.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.333 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -53.65 -45.32 70.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.675 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -59.37 -45.37 91.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.206 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -56.61 -28.81 61.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.621 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -81.99 -18.67 42.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.687 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -75.53 -0.2 19.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.006 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.31 126.32 29.47 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.018 0.437 . . . . 0.0 110.781 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -79.69 117.21 20.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.629 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -165.19 158.89 16.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.536 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.525 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 7.7 m -81.18 -49.44 1.01 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.663 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.525 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 5.8 Cg_exo -74.36 -6.44 18.37 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.501 2.134 . . . . 0.0 112.389 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -83.14 -42.57 17.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.148 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -70.4 -33.78 71.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 47.8 mtt -59.87 -33.64 72.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.062 0.458 . . . . 0.0 110.067 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -78.41 -25.98 46.25 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.531 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -66.17 -50.86 62.46 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.748 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.6 mt -59.66 -41.0 83.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.914 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.42 -24.37 66.48 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.947 179.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -84.55 -47.14 10.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.138 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.6 tt -62.35 -23.92 33.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.394 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -54.75 6.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.199 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.404 ' HA ' HH21 ' A' ' 10' ' ' ARG . . . -58.53 -33.03 69.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.917 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.03 -56.6 4.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.361 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.48 HH21 HD11 ' A' ' 97' ' ' ILE . 8.2 mtp-105 -52.01 -35.2 46.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.159 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -70.98 -56.93 5.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.487 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -62.65 -24.2 67.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.951 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.526 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -87.23 -59.55 2.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.848 0.356 . . . . 0.0 111.569 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.446 HG23 ' HB3' ' A' ' 102' ' ' ALA . 72.0 mt -55.72 -43.8 74.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.306 -179.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.421 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 2.2 mmtm -51.28 -46.73 62.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.998 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.421 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 22.4 p90 -177.45 91.42 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.002 0.429 . . . . 0.0 111.299 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.526 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 7.0 t -176.92 -98.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.383 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -132.11 64.89 1.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.017 0.437 . . . . 0.0 110.753 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -52.12 -32.63 36.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.584 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -78.98 -23.75 44.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.857 0.361 . . . . 0.0 111.212 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -64.99 -24.57 67.55 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.454 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -89.84 -42.21 11.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.272 179.726 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -68.0 -18.38 64.7 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.589 0.709 . . . . 0.0 109.122 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -76.71 -57.79 3.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.013 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -63.26 -27.03 69.06 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.298 178.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 66' ' ' PHE . 2.2 mt -68.97 -48.91 61.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.812 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -52.6 -42.56 64.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.05 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.66 -42.43 61.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.622 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 29.1 tp -51.71 -41.49 61.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.34 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.427 ' O ' HG12 ' A' ' 77' ' ' VAL . 3.0 tm0? -62.03 -49.72 74.88 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.339 0.59 . . . . 0.0 110.176 178.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.43 -26.22 68.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.939 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.605 ' HA ' HD12 ' A' ' 79' ' ' ILE . 74.6 tttt -81.5 -53.44 6.28 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.463 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 74' ' ' GLN . 7.2 p -58.72 -27.14 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.257 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' A' ' 80' ' ' LYS . 4.8 mt-10 -61.37 -50.03 74.54 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 76' ' ' LYS . 3.1 mt -56.28 -2.71 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.342 178.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.4 OUTLIER 78.94 118.3 0.06 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.424 0.631 . . . . 0.0 111.349 179.45 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 177.59 -37.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.81 45.06 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.767 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -61.48 -29.24 69.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.519 ' ND1' ' H ' ' A' ' 84' ' ' HIS . 2.2 p-80 -70.89 -35.58 72.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -64.4 -26.13 68.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.874 0.368 . . . . 0.0 110.422 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 32.4 t-105 -77.92 -51.72 9.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.489 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -62.23 -18.87 62.35 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.23 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 40.3 mt -85.45 -60.68 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.06 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 50.0 t -50.24 -32.54 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.294 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 13.9 p -78.41 -49.23 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.712 0.291 . . . . 0.0 110.49 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -52.27 -33.54 42.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.006 178.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.23 4.88 3.21 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.03 6.38 79.02 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.127 -0.559 . . . . 0.0 113.083 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.9 mt -75.79 137.1 23.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.756 0.312 . . . . 0.0 110.874 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.416 ' HA ' HD11 ' A' ' 116' ' ' LEU . 15.2 p -125.42 160.08 30.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.21 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.557 ' HB2' ' HA ' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -52.58 176.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.546 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.48 HD11 HH21 ' A' ' 54' ' ' ARG . 1.3 mp -68.82 116.03 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.641 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.32 144.66 31.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.332 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.553 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 0.9 OUTLIER -53.68 -47.43 70.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.616 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -52.69 -33.13 46.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.901 0.381 . . . . 0.0 110.71 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -78.86 -29.9 44.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.491 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.446 ' HB3' HG23 ' A' ' 58' ' ' ILE . . . -155.77 142.59 18.91 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 102' ' ' ALA . 1.1 t 90.01 -69.68 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.106 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 124.67 84.94 0.61 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.78 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.447 ' N ' ' HB2' ' A' ' 99' ' ' LYS . 1.1 p 65.03 12.9 8.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.657 0.265 . . . . 0.0 111.26 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 75.6 m -110.86 94.99 5.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.283 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.553 ' HB ' ' HB3' ' A' ' 99' ' ' LYS . 1.0 OUTLIER -177.91 146.22 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.883 179.66 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.52 150.28 36.61 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.05 -179.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.24 -12.79 59.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.306 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -84.39 -16.65 42.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.353 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.417 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 4.7 tt0 -82.79 -47.16 12.22 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.141 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.557 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.44 -42.86 12.5 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -178.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -80.48 -47.77 13.8 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -63.46 -34.18 77.19 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -69.28 -47.34 64.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.614 0.245 . . . . 0.0 111.543 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.416 HD11 ' HA ' ' A' ' 95' ' ' THR . 1.0 OUTLIER -85.4 10.79 11.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.739 0.304 . . . . 0.0 111.139 -179.784 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.956 179.78 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 120.427 0.156 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -51.13 -35.26 51.01 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.538 2.159 . . . . 0.0 112.449 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.91 -36.36 83.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.078 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -74.66 -45.87 41.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.002 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -61.39 -32.35 72.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -76.6 -48.45 19.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.66 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -57.24 -36.66 71.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.3 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.8 p -80.14 -40.59 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.285 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tp -58.57 -31.8 68.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.131 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.4 m -94.48 -5.43 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.377 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -118.55 36.91 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.226 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.41 ' HG3' ' HG2' ' A' ' 16' ' ' LYS . 3.5 pt20 -116.2 -38.1 3.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.959 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.709 ' HG3' ' H ' ' A' ' 17' ' ' LYS . 27.1 pttt -162.92 -72.3 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.709 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 6.2 tptp -174.94 75.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.781 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.98 1.31 36.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.233 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.2 m 62.2 134.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.475 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -78.0 63.04 2.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.762 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -141.53 -62.47 0.46 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.964 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -65.0 -46.05 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.79 -27.04 63.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.995 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.2 m -75.48 -59.52 2.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.554 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -54.29 -40.77 68.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.855 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -62.8 -45.97 90.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.635 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.445 HD12 HD11 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -57.16 -44.28 83.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.666 179.645 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.5 mp -65.14 -42.34 94.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.757 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -43.59 98.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.427 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -48.42 81.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.195 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.445 HD11 HD12 ' A' ' 27' ' ' LEU . 62.4 mt -54.05 -45.62 65.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.245 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.28 -27.9 63.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.378 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -67.16 -28.44 68.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.389 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -82.53 -26.5 32.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.083 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.0 -18.38 62.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.488 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -73.77 -2.45 23.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.72 127.93 28.05 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.635 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -79.38 121.13 24.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.61 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -166.09 148.34 7.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.534 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.524 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 3.5 m -76.18 -49.44 3.18 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.616 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.524 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 12.1 Cg_exo -70.85 -5.68 17.43 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.397 2.064 . . . . 0.0 112.279 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -85.84 -41.01 15.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.135 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -62.21 -28.61 69.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.809 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 57.0 mtt -67.62 -32.6 73.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.298 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -73.75 -29.37 62.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.554 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.73 -52.25 27.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.124 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.6 mt -58.87 -42.92 87.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.302 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -61.0 -25.06 66.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.048 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -82.93 -47.57 11.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.36 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.7 tt -61.07 -26.1 38.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.445 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 mmt85 -75.75 -55.03 6.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.206 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.82 -35.65 66.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.916 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.2 -51.71 11.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.928 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.9 mtp-105 -45.93 -43.97 14.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.069 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -70.55 -45.57 65.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.702 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -63.4 -27.54 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.747 0.308 . . . . 0.0 111.36 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.524 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.03 -55.79 3.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.1 -179.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.492 HG13 ' H ' ' A' ' 59' ' ' LYS . 1.7 pp -55.27 -41.86 63.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.477 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.492 ' H ' HG13 ' A' ' 58' ' ' ILE . 30.4 mttp -50.66 -56.57 11.28 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.863 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -177.45 82.61 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.822 0.344 . . . . 0.0 111.489 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.524 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.6 OUTLIER -162.53 -96.0 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.31 179.675 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -134.04 58.34 1.77 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.931 0.396 . . . . 0.0 110.859 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.48 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 5.7 pt-20 -52.84 -42.45 65.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.843 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.518 ' C ' ' OD1' ' A' ' 67' ' ' ASN . 35.0 mt-30 -69.22 -13.84 62.63 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.4 ttt85 -81.94 -58.96 2.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.848 0.356 . . . . 0.0 110.338 178.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -47.96 -46.78 32.7 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.134 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.518 ' OD1' ' C ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -64.72 -53.35 48.65 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.385 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -41.93 -50.93 4.49 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.259 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -71.71 -31.86 67.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.431 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 67' ' ' ASN . 0.4 OUTLIER -60.25 -37.6 80.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.463 179.397 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -68.11 -36.09 79.2 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.142 0.496 . . . . 0.0 109.986 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.15 -41.67 66.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.778 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.3 tp -63.62 -49.43 73.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.72 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.5 -51.76 65.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.22 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -62.28 -46.97 86.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.174 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -56.64 -57.98 10.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.332 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.541 HG12 ' HG ' ' A' ' 82' ' ' LEU . 1.5 m -64.66 -27.36 42.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.819 0.343 . . . . 0.0 110.731 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.5 -51.53 69.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.363 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.6 mt -58.22 -86.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.004 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -149.82 99.11 2.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.021 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.26 -82.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.608 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.541 ' HG ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -137.69 73.53 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.814 179.688 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -72.49 -15.06 61.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.532 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.13 -43.74 66.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.514 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -55.05 -36.04 65.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.484 ' O ' ' HB ' ' A' ' 90' ' ' VAL . 68.1 t-105 -77.85 -43.3 30.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -63.56 -23.06 67.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.293 0.568 . . . . 0.0 109.832 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 55.8 mt -85.61 -62.43 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.31 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.5 m -51.14 -28.85 7.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.777 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.484 ' HB ' ' O ' ' A' ' 86' ' ' TRP . 0.5 OUTLIER -70.11 -51.65 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.709 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.455 ' N ' ' CG1' ' A' ' 90' ' ' VAL . 4.7 mm100 -59.0 -40.16 84.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.309 178.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.58 -5.88 6.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.617 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.03 31.56 28.48 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.706 -0.759 . . . . 0.0 113.411 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 28.2 mm -83.31 118.73 31.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.865 0.364 . . . . 0.0 110.331 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.9 t -101.64 -167.05 1.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.439 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.586 ' HB2' ' HA ' ' A' ' 112' ' ' ALA . 0.7 OUTLIER -110.98 170.11 8.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.313 -179.199 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.439 HG13 HG23 ' A' ' 58' ' ' ILE . 1.6 mp -64.0 103.4 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.382 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.496 ' HA ' HG12 ' A' ' 107' ' ' VAL . 1.4 m -101.09 144.83 29.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.468 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.563 ' HB2' ' N ' ' A' ' 105' ' ' SER . 0.0 OUTLIER -43.32 -65.6 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.844 179.636 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.43 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 0.1 OUTLIER -51.56 -27.21 10.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.638 -179.458 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -78.59 -34.47 46.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.642 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -125.34 -75.57 0.59 Allowed 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 33.5 t -109.35 91.58 3.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.861 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' A' ' 106' ' ' SER . . . -33.88 132.52 0.38 Allowed Glycine 0 CA--C 1.52 0.358 0 CA-C-N 115.855 -0.611 . . . . 0.0 114.503 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.563 ' N ' ' HB2' ' A' ' 99' ' ' LYS . 16.2 m 62.09 -17.53 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.512 ' H ' ' C ' ' A' ' 104' ' ' GLY . 0.4 OUTLIER -98.03 88.97 4.38 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.876 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.496 HG12 ' HA ' ' A' ' 98' ' ' THR . 1.3 t 178.31 136.27 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.445 178.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.0 t -74.78 150.6 39.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.173 0.511 . . . . 0.0 112.127 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -77.05 -12.26 59.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.755 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.51 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 4.4 tt0 -83.95 -17.4 40.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.526 -179.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 5.5 tt0 -85.38 -48.6 8.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.308 -179.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.586 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.33 -38.77 15.94 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -178.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -87.19 -46.85 9.37 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.51 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 4.2 tmtt? -64.99 -27.7 69.01 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -73.11 -47.4 44.6 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.93 -20.65 45.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.748 0.309 . . . . 0.0 111.386 -179.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.096 179.831 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.507 HD21 ' H ' ' A' ' 6' ' ' ALA . 1.1 t30 . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.354 0.121 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.452 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 48.8 Cg_exo -56.02 -27.78 66.01 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.455 2.104 . . . . 0.0 112.368 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.507 ' H ' HD21 ' A' ' 4' ' ' ASN . . . -70.34 -33.74 71.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.164 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -73.19 -53.56 10.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.247 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.452 ' OD1' ' HA ' ' A' ' 5' ' ' PRO . 0.6 OUTLIER -61.6 -26.09 67.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.846 -179.735 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -73.86 -51.88 14.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.366 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -57.36 -36.87 71.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.64 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.455 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 77.5 t -72.71 -46.36 54.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.686 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.3 tp -54.56 -31.72 57.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.418 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.1 m -94.18 -1.03 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 0.0 111.228 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -123.97 40.32 3.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.4 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -115.77 -47.16 2.81 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.006 0.431 . . . . 0.0 111.124 179.62 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.18 -75.7 0.2 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.477 -178.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -163.13 90.16 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.174 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -103.6 -9.67 19.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 m 55.49 -92.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.455 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 175.69 50.74 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.72 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -127.66 -70.91 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.19 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -60.24 -46.48 89.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.27 -26.25 63.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.311 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.4 -58.94 2.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.823 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -54.77 -41.79 70.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.722 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -60.04 -48.08 83.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.449 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.463 HD13 HD13 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -57.04 -47.6 80.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.629 179.501 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.59 -33.55 60.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.652 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.59 -44.97 85.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.915 179.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.85 -43.76 97.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.628 179.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.463 HD13 HD13 ' A' ' 27' ' ' LEU . 91.1 mt -56.76 -50.14 75.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.999 179.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -53.98 -44.0 70.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.451 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -59.32 -45.64 90.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.958 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -54.19 -31.9 54.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.335 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mt -79.24 -26.09 42.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.698 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.62 -46.29 84.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.439 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.522 ' O ' ' HB2' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -57.47 -71.38 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.898 179.494 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' A' ' 37' ' ' THR . 33.9 m120 92.44 61.08 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 O-C-N 123.909 0.756 . . . . 0.0 110.878 179.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.483 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 1.6 mm-40 -127.15 179.85 5.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.552 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.558 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 85.9 m -81.18 -48.77 1.05 Allowed Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.558 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 9.0 Cg_exo -72.18 -10.37 25.74 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.388 2.059 . . . . 0.0 112.327 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -86.79 -37.13 18.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.233 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -68.05 -25.06 65.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.934 0.397 . . . . 0.0 110.658 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 64.0 mtt -68.47 -31.51 70.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.142 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.16 -27.57 53.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.536 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 m -65.38 -52.84 50.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.988 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.2 mt -60.6 -39.18 80.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.312 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -26.57 68.06 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.031 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 m -83.89 -47.02 11.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.41 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.8 tt -63.87 -21.49 28.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 121.002 0.43 . . . . 0.0 110.597 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -76.5 -53.61 7.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.876 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.0 -32.1 73.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.932 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.62 -56.44 4.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.987 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 54' ' ' ARG . 38.2 mtt180 -48.85 -43.25 38.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.268 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -66.81 -46.96 73.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.687 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.88 -27.37 68.81 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 111.156 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.543 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -83.41 -57.3 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.534 HG13 ' N ' ' A' ' 59' ' ' LYS . 1.0 OUTLIER -56.07 -38.87 55.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.464 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.534 ' N ' HG13 ' A' ' 58' ' ' ILE . 32.6 mttt -50.5 -56.22 12.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.551 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -178.75 70.29 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.674 0.273 . . . . 0.0 111.42 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.543 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.6 OUTLIER -150.86 -101.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.721 179.819 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.445 ' H ' ' HB3' ' A' ' 61' ' ' SER . 6.0 mm-40 -131.26 64.36 1.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.936 0.398 . . . . 0.0 111.399 -179.058 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -55.03 -35.58 64.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.167 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.599 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 48.5 mt-30 -70.12 -24.87 63.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.98 0.419 . . . . 0.0 111.044 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -71.36 -19.28 62.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.241 0.543 . . . . 0.0 109.558 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.473 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -87.78 -45.61 10.18 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.38 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.599 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.9 OUTLIER -68.68 -18.7 64.31 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.163 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -75.41 -58.15 3.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.262 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -63.55 -29.51 70.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.879 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 66' ' ' PHE . 3.4 mt -70.69 -46.95 62.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.449 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -53.35 -40.98 65.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.503 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.73 -43.09 48.65 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.701 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.3 tp -55.99 -39.08 71.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.355 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.42 ' O ' HG13 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -63.01 -52.14 64.11 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.421 179.289 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -57.33 -28.76 63.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.985 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -81.84 -54.81 5.05 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.631 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 74' ' ' GLN . 8.5 p -57.39 -29.71 33.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.368 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -53.97 52.35 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.5 mt -68.25 -77.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.63 178.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -162.46 119.78 2.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -177.58 -80.05 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.686 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.44 55.43 1.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -58.15 -17.51 19.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.255 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.95 -35.0 22.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -71.01 -24.07 62.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.902 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 36.1 t-105 -72.48 -58.57 3.28 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.495 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 23.1 mt-10 -60.93 -17.84 53.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.056 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.9 mt -80.91 -59.97 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.833 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.582 HG13 ' HB ' ' A' ' 94' ' ' ILE . 52.9 t -47.58 -32.78 2.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.625 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.1 p -87.41 -40.13 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.024 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 0.8 OUTLIER -46.06 -29.06 1.35 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.32 178.372 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.9 -43.96 8.7 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 122.72 12.31 5.06 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.9 178.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.582 ' HB ' HG13 ' A' ' 89' ' ' VAL . 9.9 mt -67.53 150.47 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.692 0.282 . . . . 0.0 110.554 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.432 ' HA ' HD11 ' A' ' 116' ' ' LEU . 21.3 p -126.35 173.62 9.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.565 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.485 HD13 ' HG3' ' A' ' 111' ' ' GLU . 1.5 tt -54.21 -113.87 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.26 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.506 HG23 HG22 ' A' ' 107' ' ' VAL . 1.0 OUTLIER -110.14 -37.56 3.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 O-C-N 122.053 -0.404 . . . . 0.0 110.985 179.689 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.56 125.56 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.045 179.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.628 ' HB2' ' HA ' ' A' ' 105' ' ' SER . 0.0 OUTLIER -47.79 -55.84 8.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.611 179.482 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -53.15 -31.07 40.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.199 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.411 ' HG3' HD12 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -108.27 39.98 1.86 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.997 0.427 . . . . 0.0 110.707 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.44 -102.51 0.42 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.2 p -134.78 -9.55 2.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.806 0.336 . . . . 0.0 110.986 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 160.22 61.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.438 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.628 ' HA ' ' HB2' ' A' ' 99' ' ' LYS . 0.5 OUTLIER 52.47 46.48 26.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.723 0.297 . . . . 0.0 111.232 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.462 ' O ' ' CG2' ' A' ' 107' ' ' VAL . 48.3 m -120.7 90.52 3.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.452 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.506 HG22 HG23 ' A' ' 97' ' ' ILE . 4.1 t -174.63 147.19 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.75 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.7 t -81.94 150.94 27.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.928 0.394 . . . . 0.0 111.658 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.46 -13.72 61.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.76 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.462 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 26.2 mt-10 -84.82 -17.64 37.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.47 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 115' ' ' PHE . 2.5 tt0 -85.64 -44.35 12.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.29 -179.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -87.71 -41.95 12.98 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -87.11 -45.07 11.04 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -177.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.462 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 3.5 tmtp? -66.86 -39.63 87.62 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.49 ' HB2' ' O ' ' A' ' 111' ' ' GLU . 0.1 OUTLIER -55.87 -40.6 73.17 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.391 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.432 HD11 ' HA ' ' A' ' 95' ' ' THR . 5.0 mp -98.26 19.85 13.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.652 0.263 . . . . 0.0 111.431 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.938 179.852 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.437 ' HB3' ' HB2' ' A' ' 7' ' ' GLU . 1.5 t30 . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 120.533 0.206 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.2 -37.42 95.49 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.508 2.138 . . . . 0.0 112.476 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.93 -39.74 83.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.273 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.437 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 6.4 tt0 -68.42 -51.28 45.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.136 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -55.71 -37.62 68.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -71.55 -45.09 63.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.575 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -59.53 -40.67 87.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.529 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.504 ' HA ' ' HB2' ' A' ' 14' ' ' LYS . 17.2 m -74.96 -44.39 44.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.501 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -32.95 60.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.771 0.32 . . . . 0.0 111.056 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.1 m -95.11 -10.72 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.99 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.504 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 12.6 tttt -71.76 -30.29 65.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.257 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.465 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 1.9 pt20 -106.73 -51.33 2.95 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 120.601 -0.44 . . . . 0.0 112.138 -179.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.502 ' O ' ' C ' ' A' ' 17' ' ' LYS . 2.7 tppt? 157.33 -19.99 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.533 0.521 . . . . 0.0 109.894 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -18.08 -64.98 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.373 -0.831 . . . . 0.0 112.121 -179.396 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.01 162.4 33.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.515 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.7 m -87.16 171.63 10.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.748 0.308 . . . . 0.0 110.603 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -56.98 -46.3 82.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.252 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -47.99 -64.45 0.79 Allowed 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -53.46 -50.91 64.3 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.712 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.54 -31.33 72.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.119 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.9 m -67.49 -54.07 23.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.206 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -54.02 -44.51 71.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.258 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -60.89 -48.79 80.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.9 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.15 -48.11 79.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.065 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.0 -34.86 68.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.089 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.61 -45.91 81.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.005 0.431 . . . . 0.0 110.175 179.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -59.7 -44.5 93.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.948 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.04 -51.06 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.446 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -54.23 -37.84 65.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.806 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -67.07 -47.06 72.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.346 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -56.45 -28.57 59.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.713 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.96 -48.02 83.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.638 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -48.76 -21.49 0.63 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.112 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.34 101.49 12.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.311 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -77.84 54.38 1.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.362 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.423 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 9.3 mm-40 -115.15 138.29 51.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.594 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.511 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 2.5 m -57.26 -49.74 92.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.703 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.511 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 26.7 Cg_exo -62.72 -21.19 72.75 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.218 1.945 . . . . 0.0 112.297 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -83.69 -35.6 24.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -71.16 -22.21 62.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.909 0.385 . . . . 0.0 110.703 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 63.9 mtt -67.66 -30.86 70.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.059 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.24 -28.88 61.45 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.479 179.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.28 -51.81 48.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.892 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.7 mm -59.16 -41.8 84.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.045 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -26.73 67.48 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.152 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.9 m -82.72 -48.49 10.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.341 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.0 tt -59.96 -25.69 33.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.573 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -75.16 -54.9 6.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.179 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.95 -33.21 66.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.818 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -75.51 -55.7 5.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.251 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.4 ttm-85 -51.69 -43.8 62.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.482 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -64.35 -56.13 16.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.67 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.81 -21.09 66.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.68 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.586 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -86.41 -59.97 2.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.784 0.326 . . . . 0.0 111.302 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.466 ' HA ' ' HB3' ' A' ' 63' ' ' GLU . 1.9 pp -56.22 -39.81 61.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.486 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.434 ' H ' HG13 ' A' ' 58' ' ' ILE . 10.7 mmtt -50.64 -55.14 17.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.691 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -176.08 77.18 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 120.769 0.319 . . . . 0.0 111.507 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.586 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 3.2 t -161.39 -99.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.584 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.427 ' H ' ' HB3' ' A' ' 61' ' ' SER . 27.9 mt-10 -131.38 64.33 1.59 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.886 0.374 . . . . 0.0 111.177 -179.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.466 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 4.2 pt-20 -53.3 -36.88 61.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.262 179.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.595 ' HA ' HD22 ' A' ' 67' ' ' ASN . 56.6 mt-30 -65.12 -21.51 66.81 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.136 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -74.06 -19.65 60.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.107 0.48 . . . . 0.0 109.925 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.16 -48.32 7.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.265 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.595 HD22 ' HA ' ' A' ' 64' ' ' GLN . 0.7 OUTLIER -63.27 -18.34 63.47 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.352 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -74.02 -57.41 3.98 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 114.65 -1.159 . . . . 0.0 109.0 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -67.31 -23.67 65.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.886 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.31 -54.17 13.72 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.949 0.404 . . . . 0.0 110.021 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -53.13 -40.9 64.57 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.36 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.36 -43.07 70.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.599 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 tp -52.62 -39.25 61.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.425 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.518 ' HA ' HG13 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -67.76 -50.97 54.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.112 178.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -57.63 -31.37 66.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.325 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.627 ' HA ' HD12 ' A' ' 79' ' ' ILE . 40.9 mttt -81.64 -53.68 6.03 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.982 0.42 . . . . 0.0 110.879 -178.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.518 HG13 ' HA ' ' A' ' 74' ' ' GLN . 7.7 p -50.94 -29.76 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.406 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.435 ' C ' ' H ' ' A' ' 80' ' ' LYS . 23.4 mt-10 -64.32 -49.41 71.86 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 178.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.627 HD12 ' HA ' ' A' ' 76' ' ' LYS . 4.3 mt -59.46 -5.04 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.864 178.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.507 ' HA ' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER 81.79 119.98 0.05 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.497 179.106 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 174.28 -40.65 0.01 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.739 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.14 42.1 3.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.507 HD22 ' HA ' ' A' ' 80' ' ' LYS . 0.6 OUTLIER -58.05 -25.87 61.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.755 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -84.84 -37.81 20.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.781 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -55.83 -44.86 78.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.97 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 25.7 t-105 -59.35 -43.61 92.77 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.51 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -63.59 -37.64 88.1 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 27.1 mt -73.66 -19.24 17.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.08 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.7 t -83.33 -38.56 14.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.353 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.5 p -84.66 -35.0 9.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.622 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.424 ' C ' ' H ' ' A' ' 93' ' ' GLY . 8.8 tt0 -63.94 -50.26 69.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.312 179.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.34 -5.12 1.48 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.825 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.424 ' H ' ' C ' ' A' ' 91' ' ' GLN . . . 83.28 2.78 90.34 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.957 -0.64 . . . . 0.0 113.09 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.6 mt -60.14 121.5 8.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 117.049 0.424 . . . . 0.0 110.671 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.0 p -95.69 -166.49 1.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.521 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.559 ' HB2' ' HA ' ' A' ' 112' ' ' ALA . 0.6 OUTLIER -103.56 170.17 8.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.887 -179.615 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.507 ' O ' HG12 ' A' ' 107' ' ' VAL . 1.7 mp -71.0 106.66 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.484 ' HA ' HG12 ' A' ' 107' ' ' VAL . 0.2 OUTLIER -106.19 145.24 31.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.803 -179.31 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.447 ' HG3' ' H ' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -46.18 -64.97 0.62 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.502 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.447 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -61.23 -29.74 70.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.996 -179.791 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.41 ' HB2' ' HB ' ' A' ' 98' ' ' THR . 4.2 mt-10 -82.58 12.66 4.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.784 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -113.38 -76.65 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.3 t -170.24 -78.09 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.25 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -93.98 34.6 4.58 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.969 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.405 ' HA ' ' HB2' ' A' ' 99' ' ' LYS . 0.3 OUTLIER 47.21 60.29 3.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.822 0.344 . . . . 0.0 111.406 179.893 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.3 m -123.72 88.94 3.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.365 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 97' ' ' ILE . 1.1 t 179.22 154.27 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.175 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.43 149.91 25.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.192 0.52 . . . . 0.0 111.808 -179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.79 -12.3 58.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.646 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -75.23 -19.6 59.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.232 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.451 ' HG3' HD12 ' A' ' 96' ' ' LEU . 4.2 tt0 -79.9 -49.1 12.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.83 0.348 . . . . 0.0 111.303 -179.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.559 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -76.01 -22.34 55.9 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -87.62 -49.83 6.9 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -70.04 -28.84 65.79 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.429 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . 9.6 m-85 -77.58 -47.45 19.38 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.98 37.86 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.939 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.004 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.1 t30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.439 0.162 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.62 -40.7 82.9 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.524 2.149 . . . . 0.0 112.399 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.61 -34.32 76.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.069 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -71.17 -51.95 21.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.932 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -56.55 -33.92 66.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -73.46 -48.52 32.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.517 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -56.33 -39.43 72.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.198 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.5 m -77.9 -42.35 28.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.031 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mt -54.43 -33.8 60.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.333 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.9 m -92.93 -1.77 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.775 0.322 . . . . 0.0 111.311 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.39 41.13 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.414 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.417 ' H ' ' HG3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -115.99 -47.21 2.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.011 0.434 . . . . 0.0 111.032 179.706 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -151.67 -77.96 0.12 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.617 -178.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -159.28 83.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.473 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.85 -7.68 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.798 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 t 65.73 -90.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.218 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 t80 178.0 -36.51 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.13 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.29 -61.65 1.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.032 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -54.54 -50.02 68.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.671 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.75 86.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.699 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.9 m -66.45 -53.79 31.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.646 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -51.41 -49.41 61.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.572 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -47.46 84.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.684 179.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.8 -50.66 69.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.045 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.5 mp -58.53 -41.99 83.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.243 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.02 -45.83 93.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.857 0.361 . . . . 0.0 110.379 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -47.26 83.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.978 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.9 mt -56.92 -50.15 76.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.348 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -55.55 -43.02 75.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.676 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -59.82 -46.54 88.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.218 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -55.62 -31.93 62.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.904 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 mt -69.48 -18.2 63.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.882 0.373 . . . . 0.0 111.077 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.13 -9.51 53.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.614 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.42 113.61 16.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.473 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -78.06 58.97 2.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.254 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.45 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 6.9 mm-40 -119.5 140.89 49.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.714 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.511 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 2.8 m -60.54 -49.47 89.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.761 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.511 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 32.7 Cg_exo -58.23 -24.32 66.61 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.155 1.904 . . . . 0.0 112.36 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -86.14 -36.72 19.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.013 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -72.2 -23.72 61.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.747 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 48.3 mtt -67.47 -29.46 68.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.887 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.94 -27.75 54.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.476 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.6 m -65.79 -51.13 61.56 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.82 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.5 mt -60.57 -39.47 81.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.84 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.91 -25.38 66.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.799 178.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.1 m -83.09 -43.34 16.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.955 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.469 HG12 ' HZ ' ' A' ' 66' ' ' PHE . 3.0 tt -65.97 -28.12 42.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.724 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -77.62 -30.81 52.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.724 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.79 -34.09 57.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.936 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -80.37 -49.27 11.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.89 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.463 ' HG2' HD13 ' A' ' 58' ' ' ILE . 4.0 tmt_? -52.34 -28.86 20.99 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.469 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -84.06 -53.58 5.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.283 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.11 -24.74 67.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.876 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.547 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -87.06 -59.76 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 0.0 111.702 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.463 HD13 ' HG2' ' A' ' 54' ' ' ARG . 1.7 mp -55.43 -42.5 67.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.027 -179.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.423 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 1.1 mttt -50.02 -48.95 52.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.468 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.423 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 22.1 p90 -176.27 88.26 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 121.126 0.488 . . . . 0.0 111.169 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.547 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 6.6 t -174.08 -99.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.622 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -132.34 64.63 1.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.94 0.4 . . . . 0.0 111.238 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.453 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 9.1 pt-20 -53.47 -33.93 56.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.302 179.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.594 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 60.8 mt-30 -69.53 -20.61 63.69 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.923 0.392 . . . . 0.0 111.063 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -74.24 -18.63 60.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.338 0.589 . . . . 0.0 109.506 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.469 ' HZ ' HG12 ' A' ' 50' ' ' ILE . 13.0 t80 -87.2 -46.91 9.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.15 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.594 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.6 OUTLIER -68.4 -18.86 64.55 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.744 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -72.25 -57.63 4.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.867 -1.06 . . . . 0.0 108.998 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -65.53 -28.84 69.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.677 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.55 HD12 HD22 ' A' ' 96' ' ' LEU . 7.9 mt -65.26 -50.83 64.25 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.672 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.6 mttt -54.08 -40.39 67.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.479 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.11 -43.37 57.82 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.108 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.4 tp -58.35 -42.58 87.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.51 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.412 ' O ' HG13 ' A' ' 77' ' ' VAL . 12.4 tm0? -58.69 -51.55 69.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.811 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.91 -25.79 65.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.173 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -82.07 -51.99 7.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.812 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.419 HG23 ' HA ' ' A' ' 83' ' ' ASN . 2.9 p -61.94 -36.74 75.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.829 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.88 -53.19 59.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.907 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.2 mm -61.18 -91.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.744 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -160.94 106.94 1.42 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.744 0.306 . . . . 0.0 110.968 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -169.72 -68.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.063 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.552 ' HB2' ' HB2' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -131.34 56.44 1.8 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.004 -179.696 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.419 ' HA ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -58.2 -30.63 66.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.033 -179.818 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.504 ' ND1' ' H ' ' A' ' 84' ' ' HIS . 1.7 p-80 -71.27 -37.02 71.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.552 ' HB2' ' HB2' ' A' ' 82' ' ' LEU . 6.3 t80 -54.91 -48.36 73.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.995 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.406 ' HB2' HG22 ' A' ' 77' ' ' VAL . 10.9 t-105 -55.83 -47.21 77.62 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.336 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -63.82 -36.59 84.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.922 0.391 . . . . 0.0 110.32 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.0 mt -77.98 -18.2 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.483 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.7 t -84.53 -36.43 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.935 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.2 p -81.23 -38.57 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.226 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.424 ' C ' ' H ' ' A' ' 93' ' ' GLY . 28.5 mt-30 -59.41 -45.77 90.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.557 179.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -3.84 0.79 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.404 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.424 ' H ' ' C ' ' A' ' 91' ' ' GLN . . . 85.73 -28.52 4.88 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.964 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -55.02 134.28 18.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.853 0.326 . . . . 0.0 110.727 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.414 ' HB ' HD11 ' A' ' 116' ' ' LEU . 1.3 p -125.99 168.15 14.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.55 HD22 HD12 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -51.76 169.85 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.246 179.72 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.403 HD12 ' HE ' ' A' ' 54' ' ' ARG . 1.5 mp -71.95 119.3 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.481 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.491 ' HB ' ' HB2' ' A' ' 101' ' ' GLU . 0.2 OUTLIER -104.83 148.19 26.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.977 0.418 . . . . 0.0 112.083 -179.602 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.537 ' HG3' ' H ' ' A' ' 107' ' ' VAL . 22.9 tttt -25.91 -88.29 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.19 -0.914 . . . . 0.0 113.394 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.559 ' C ' ' H ' ' A' ' 102' ' ' ALA . 3.4 pt-20 -67.31 -7.22 22.84 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.491 ' HB2' ' HB ' ' A' ' 98' ' ' THR . 2.7 tp10 -68.3 14.84 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.788 0.328 . . . . 0.0 111.241 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.559 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -128.35 -60.01 1.14 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.82 -45.79 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.706 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 176.72 45.96 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.761 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.4 t -119.68 134.59 55.17 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.201 0.524 . . . . 0.0 111.712 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.476 ' HA ' ' HG3' ' A' ' 99' ' ' LYS . 65.4 m -65.53 139.68 58.49 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.415 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.537 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 5.1 t -143.13 134.47 23.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.39 179.315 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.4 ' N ' HG11 ' A' ' 107' ' ' VAL . 0.2 OUTLIER -56.39 149.96 15.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.524 -178.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 113' ' ' LYS . . . -81.59 -11.97 58.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.948 178.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.455 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 3.2 tt0 -85.08 -16.41 40.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.184 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -84.01 -47.11 11.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.347 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.47 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.9 -41.99 12.82 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -178.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 109' ' ' ALA . 16.6 mttt -85.16 -43.3 13.96 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -177.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 2.0 tmtp? -67.45 -31.77 72.17 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -178.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -75.55 -47.76 25.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.68 0.276 . . . . 0.0 111.731 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.414 HD11 ' HB ' ' A' ' 95' ' ' THR . 1.5 mp -104.72 66.87 0.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 111.094 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 179.781 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.496 ' HA ' ' HZ2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.254 0 CA-C-O 120.489 0.185 . . . . 0.0 110.909 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.422 ' HD2' ' HE2' ' A' ' 45' ' ' LYS . 69.0 Cg_exo -51.12 -30.56 32.44 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.466 2.111 . . . . 0.0 112.56 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.477 ' H ' HD21 ' A' ' 4' ' ' ASN . . . -66.41 -37.8 86.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.984 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -76.04 -46.29 30.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.927 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -60.98 -30.34 70.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -76.69 -48.3 19.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.63 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -59.91 -35.16 74.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.243 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.6 m -79.17 -43.53 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.347 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.68 -28.89 64.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.258 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.6 m -94.75 -2.43 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.831 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -118.42 44.19 2.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.701 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -116.2 -48.41 2.72 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.714 0.292 . . . . 0.0 110.88 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 0.2 OUTLIER 172.3 -46.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.019 -179.7 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 16' ' ' LYS . 10.5 mttt -152.23 154.84 36.56 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.822 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 169.6 -22.62 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.37 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m 70.87 118.14 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.547 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -54.72 -35.62 63.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.074 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -57.83 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.778 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.04 -49.99 70.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.734 0.302 . . . . 0.0 111.481 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.88 -37.62 82.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.293 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.9 p -66.62 -52.59 43.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.555 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -53.85 -48.24 70.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.597 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -59.13 -48.35 81.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.951 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.85 -49.03 76.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.14 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.1 tp -61.83 -36.41 73.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.304 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.67 -45.91 81.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.864 0.364 . . . . 0.0 110.178 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -58.81 -45.45 89.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.958 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.1 mt -57.9 -50.28 78.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.434 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -53.77 -45.47 70.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.718 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -58.78 -46.4 87.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.265 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -55.8 -31.92 63.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.7 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mt -82.11 -19.0 40.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.776 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -75.25 -0.04 18.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.058 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -142.65 134.05 26.33 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.036 0.446 . . . . 0.0 110.615 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -83.52 114.79 21.74 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.63 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -165.08 140.29 5.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.696 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.511 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 2.4 m -69.07 -49.76 23.74 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.606 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.511 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 17.3 Cg_exo -67.01 -13.89 41.6 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.364 2.043 . . . . 0.0 112.281 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -86.11 -48.27 8.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.005 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -63.83 -37.55 87.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.751 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.9 ttt -53.3 -31.22 42.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.776 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.496 ' HZ2' ' HA ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -74.9 -56.27 4.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.319 179.624 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 49' ' ' CYS . 0.7 OUTLIER -43.86 -49.1 8.38 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.869 178.822 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 70.1 mt -55.87 -52.04 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.892 0.377 . . . . 0.0 110.479 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.08 -18.53 65.38 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.307 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 46' ' ' SER . 1.8 m -78.71 -42.41 28.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.869 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -68.0 -28.01 39.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.226 179.064 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -77.44 -30.18 53.22 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.769 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.76 -36.25 37.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.376 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.78 -47.13 19.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.453 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -46.58 -46.09 19.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.713 179.219 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -68.34 -44.87 74.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.529 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.85 -28.35 69.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.46 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.556 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.23 -55.63 3.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.207 -179.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.563 HG13 ' H ' ' A' ' 59' ' ' LYS . 1.1 pt -54.6 -41.55 55.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.507 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.563 ' H ' HG13 ' A' ' 58' ' ' ILE . 48.3 mttt -50.67 -56.29 12.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.727 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -179.68 79.13 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.855 0.359 . . . . 0.0 111.451 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.556 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -159.54 -100.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.358 179.677 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -132.74 63.2 1.64 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.991 0.424 . . . . 0.0 111.111 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -54.13 -35.08 61.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.532 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.543 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 38.2 mt-30 -74.27 -22.71 59.19 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.776 0.322 . . . . 0.0 111.219 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 65' ' ' ARG . 1.5 ttm-85 -71.96 -19.5 61.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.128 0.489 . . . . 0.0 109.937 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.443 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -88.25 -43.22 11.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.516 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.543 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 1.8 p30 -72.23 -21.72 61.35 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -67.14 -58.11 5.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.784 -1.098 . . . . 0.0 108.796 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -67.88 -28.91 67.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.764 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.512 ' HB2' ' HA ' ' A' ' 67' ' ' ASN . 3.6 mt -64.17 -46.99 81.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.491 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -56.43 -37.9 70.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.434 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.37 -43.67 49.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.781 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.5 tp -59.8 -41.42 91.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.575 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.411 ' O ' HG11 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -60.2 -52.14 66.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.855 179.814 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -59.12 -27.42 65.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.106 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -81.28 -54.73 5.24 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.569 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.411 HG11 ' O ' ' A' ' 74' ' ' GLN . 4.8 p -59.87 -30.06 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.911 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.26 -52.09 62.47 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.454 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.9 mt -62.14 -88.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.748 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -160.57 112.01 1.89 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.755 0.312 . . . . 0.0 111.168 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -171.28 -67.6 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.464 HD13 ' HB3' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -132.7 56.56 1.84 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.907 -179.888 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -57.56 -29.03 64.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.292 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -75.23 -35.94 61.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.139 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.464 ' HB3' HD13 ' A' ' 82' ' ' LEU . 25.7 t80 -63.93 -28.85 70.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.136 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 42.5 t-105 -77.59 -51.54 10.49 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.844 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -61.3 -19.18 61.47 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.131 0.491 . . . . 0.0 109.933 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.412 ' O ' ' HG2' ' A' ' 91' ' ' GLN . 34.4 mt -85.07 -60.88 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.388 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.3 m -49.76 -31.59 6.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.48 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.7 p -73.01 -52.93 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.363 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 88' ' ' ILE . 9.5 pt20 -56.94 -37.1 71.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.829 178.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.67 -5.46 1.28 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.688 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 84.95 -21.5 11.44 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.74 -0.743 . . . . 0.0 114.132 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 20.1 pt -64.43 137.39 24.96 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 117.853 0.827 . . . . 0.0 110.631 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.428 ' HA ' HD11 ' A' ' 116' ' ' LEU . 12.8 p -127.68 167.9 15.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.531 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.517 ' HB2' ' HA ' ' A' ' 112' ' ' ALA . 0.3 OUTLIER -50.5 170.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.511 179.713 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.411 HD13 ' HB3' ' A' ' 66' ' ' PHE . 1.2 mp -66.39 114.18 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.017 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.7 142.4 32.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.031 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.614 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -46.59 -42.51 16.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.983 179.876 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.11 -29.83 0.67 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.596 -179.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.405 ' HB3' ' HB ' ' A' ' 58' ' ' ILE . 34.9 mt-10 -92.41 -52.12 4.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.521 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.22 -96.87 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.9 t -120.87 -1.28 9.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.862 0.363 . . . . 0.0 111.026 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.479 ' C ' ' H ' ' A' ' 106' ' ' SER . . . 91.16 121.12 2.48 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.884 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.586 ' N ' ' HB2' ' A' ' 99' ' ' LYS . 3.4 m 66.69 -15.36 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.479 ' H ' ' C ' ' A' ' 104' ' ' GLY . 3.6 m -92.52 91.15 7.46 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.614 ' HB ' ' HB3' ' A' ' 99' ' ' LYS . 1.1 t 172.78 131.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.507 178.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.3 t -65.01 150.71 47.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.341 0.591 . . . . 0.0 112.347 -178.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.36 -11.69 59.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.412 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.529 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 28.4 mt-10 -82.3 -17.19 46.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.367 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -85.37 -50.68 7.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.201 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.517 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.62 -37.28 16.93 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -178.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.22 -46.15 9.99 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -177.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.529 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -66.4 -28.91 68.99 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.352 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -71.42 -47.58 55.02 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.428 HD11 ' HA ' ' A' ' 95' ' ' THR . 1.4 mp -92.2 -18.01 24.06 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -178.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.294 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.19 164.55 5.01 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.646 2.231 . . . . 0.0 112.321 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 t -122.95 140.15 47.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.035 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -114.32 129.82 24.54 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.59 -34.7 84.18 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.513 2.142 . . . . 0.0 112.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.22 -37.05 72.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.205 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -69.71 -47.28 63.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -61.99 -34.42 76.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.822 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -70.24 -47.46 61.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.642 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -59.11 -35.48 73.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.054 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.0 t -76.61 -44.12 34.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.186 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -29.69 67.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.237 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.415 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 27.8 m -94.16 -4.38 10.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.483 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.57 40.78 3.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -116.06 -47.35 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.983 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 4.8 pttt -175.87 -40.62 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.575 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 94.8 mttt -154.13 157.13 38.45 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.181 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.529 ' C ' ' H ' ' A' ' 20' ' ' PHE . . . -169.49 -31.94 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.178 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m 70.45 -21.75 0.18 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.703 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.529 ' H ' ' C ' ' A' ' 18' ' ' ALA . 6.9 t80 67.55 55.75 0.62 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.105 0.479 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -141.39 -57.78 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.72 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.14 -43.19 74.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.62 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.77 -31.02 70.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.951 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.4 m -77.31 -57.89 3.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.577 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -51.28 -44.16 61.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.757 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -63.34 -42.91 98.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.313 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.33 -47.43 81.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.595 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.1 tp -63.66 -34.01 65.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.679 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -65.24 -44.46 88.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.808 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -60.88 -44.35 97.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.775 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.5 mt -56.76 -50.85 73.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.092 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.6 -44.46 69.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.698 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -59.96 -45.64 91.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.308 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -56.42 -32.17 64.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.606 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mt -82.17 -18.61 42.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.74 -49.62 75.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.75 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.476 ' O ' ' HB2' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -49.82 -61.91 1.86 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.209 179.74 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' A' ' 37' ' ' THR . 71.2 m-20 92.35 59.99 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.905 0.753 . . . . 0.0 110.788 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -131.7 163.08 28.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.617 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.542 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 24.4 m -68.72 -48.96 30.1 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.904 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.542 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 16.7 Cg_exo -67.52 -9.5 25.58 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.26 1.973 . . . . 0.0 112.389 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -86.92 -26.12 24.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -73.81 -23.74 59.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.77 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -35.89 80.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.631 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -71.3 -33.95 70.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.667 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.0 m -66.71 -50.38 63.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.395 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.4 mt -58.37 -43.64 86.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.49 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.7 -25.05 67.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.33 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.3 m -80.57 -39.46 27.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.355 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.458 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -72.62 -27.06 24.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.634 179.559 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -77.05 -30.83 55.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.006 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.34 -34.51 31.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.065 0.46 . . . . 0.0 110.604 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -78.11 -48.36 16.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.835 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.458 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 3.5 tmm_? -51.67 -42.81 62.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.475 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -68.59 -46.45 69.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.75 0.309 . . . . 0.0 111.423 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -64.24 -26.43 68.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.144 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.576 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -84.33 -56.3 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.532 HG13 ' H ' ' A' ' 59' ' ' LYS . 1.3 pp -56.1 -41.62 69.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.616 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.532 ' H ' HG13 ' A' ' 58' ' ' ILE . 11.9 mmtt -50.44 -56.32 12.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.721 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -179.2 77.77 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.756 0.313 . . . . 0.0 111.351 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.576 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -158.82 -99.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.449 179.692 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -131.54 64.02 1.6 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.931 0.396 . . . . 0.0 111.11 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.417 ' HB2' HG21 ' A' ' 97' ' ' ILE . 7.7 pt-20 -53.01 -36.45 60.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.353 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.545 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 6.1 mm-40 -71.86 -23.84 61.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.879 0.371 . . . . 0.0 111.111 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.3 ttt85 -72.61 -19.44 61.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.272 0.558 . . . . 0.0 109.66 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -87.31 -45.29 10.72 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.561 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.545 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 1.6 p30 -70.46 -18.86 62.99 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -73.47 -58.21 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.042 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -65.29 -28.58 69.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.408 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.421 ' HB2' ' HA ' ' A' ' 67' ' ' ASN . 9.7 mt -66.73 -47.11 73.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.342 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -56.01 -42.13 75.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.519 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.65 -43.68 54.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.263 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 tp -57.47 -49.38 76.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -55.86 -51.85 66.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.035 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -68.9 -25.12 64.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.318 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -75.27 -53.55 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.247 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' A' ' 83' ' ' ASN . 2.4 m -63.29 -27.94 44.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.929 0.395 . . . . 0.0 110.554 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.66 -51.17 59.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.256 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.5 mt -92.89 53.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.261 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.427 ' HD3' HD21 ' A' ' 82' ' ' LEU . 48.7 tttt -155.75 -82.7 0.07 Allowed 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.032 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.416 ' C ' ' H ' ' A' ' 83' ' ' ASN . 2.8 mt-30 -176.95 -35.94 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.574 0.226 . . . . 0.0 111.38 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.427 HD21 ' HD3' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -74.08 37.53 0.1 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.679 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.494 ' HA ' HG22 ' A' ' 77' ' ' VAL . 1.0 OUTLIER -64.56 -15.52 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.061 0.458 . . . . 0.0 110.263 179.236 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -66.51 -30.87 71.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -57.56 -33.43 68.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.534 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.496 ' O ' ' HB ' ' A' ' 90' ' ' VAL . 64.6 t-105 -77.24 -44.83 28.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.353 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -63.0 -21.62 66.28 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 52.2 mt -85.89 -62.25 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.249 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.8 t -50.75 -29.59 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.344 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.496 ' HB ' ' O ' ' A' ' 86' ' ' TRP . 1.2 t -82.05 -50.61 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.579 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.407 ' C ' ' H ' ' A' ' 93' ' ' GLY . 9.2 mt-30 -52.8 -29.68 28.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.47 9.1 1.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.309 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 91' ' ' GLN . . . 71.94 7.14 65.57 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.961 -0.638 . . . . 0.0 113.007 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.7 mt -81.56 143.1 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.786 0.327 . . . . 0.0 111.192 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.0 t -129.81 167.92 17.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.67 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.408 HD13 HD11 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -62.36 -177.6 0.14 Allowed 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.33 0.586 . . . . 0.0 111.421 -179.797 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.543 HG23 HG22 ' A' ' 107' ' ' VAL . 1.7 mp -67.06 111.77 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.112 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.402 ' HB ' ' HB2' ' A' ' 101' ' ' GLU . 0.2 OUTLIER -96.26 141.22 29.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.36 -179.448 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.465 ' HG3' ' H ' ' A' ' 100' ' ' GLU . 0.1 OUTLIER -47.15 -59.87 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.45 179.723 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.465 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 1.7 tm-20 -63.81 -29.92 71.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.216 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.402 ' HB2' ' HB ' ' A' ' 98' ' ' THR . 3.3 mt-10 -63.0 -5.32 2.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.01 0.433 . . . . 0.0 110.619 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -117.86 -164.05 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.522 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.7 t -113.07 79.62 1.26 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.981 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 147.21 1.86 0.54 Allowed Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.465 -0.874 . . . . 0.0 113.082 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.441 ' HA ' ' C ' ' A' ' 99' ' ' LYS . 47.7 m 46.0 64.35 1.5 Allowed 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.909 0.355 . . . . 0.0 111.273 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.87 89.19 3.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.844 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.543 HG22 HG23 ' A' ' 97' ' ' ILE . 1.0 OUTLIER -173.99 131.73 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.359 178.86 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.21 153.17 44.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.928 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.82 -13.83 61.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.569 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.578 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 4.0 tt0 -84.07 -17.56 39.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.44 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -84.58 -49.72 8.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.144 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -87.68 -39.02 15.35 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -86.55 -49.01 7.86 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.87 0.692 . . . . 0.0 112.87 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.578 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 5.9 tmtm? -60.18 -30.94 69.67 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -178.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -74.01 -34.7 64.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.757 0.313 . . . . 0.0 111.186 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mp -130.27 83.46 2.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.985 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -100.51 149.74 36.37 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.031 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -54.76 0.2 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.485 2.123 . . . . 0.0 112.402 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -92.11 151.26 20.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 CA-C-O 120.158 -0.245 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.24 -179.42 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.717 2.278 . . . . 0.0 112.271 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.0 m 33.31 60.46 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.858 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -131.61 66.79 78.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.788 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -84.92 -45.4 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.782 2.321 . . . . 0.0 113.131 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.07 -41.61 86.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.629 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.45 -45.02 66.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.218 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -65.72 -24.66 67.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.93 0.395 . . . . 0.0 110.831 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -79.63 -52.17 8.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -62.61 -30.94 71.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.386 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.435 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 9.9 p -79.44 -43.58 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.231 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 tt -58.84 -27.15 64.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.4 m -95.53 -7.77 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.33 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -108.65 -5.2 16.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.656 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 13.4 mm100 -116.44 -11.01 11.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.613 0.244 . . . . 0.0 111.472 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.77 120.83 0.18 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -70.11 83.58 0.52 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.892 0.377 . . . . 0.0 110.978 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.52 26.93 2.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.633 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 m 74.97 117.46 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.619 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -59.49 -32.94 70.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.122 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -51.85 -56.31 14.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.896 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -55.78 -49.2 73.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.757 0.313 . . . . 0.0 111.538 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.83 88.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.236 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.4 p -64.57 -51.6 61.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.588 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -54.41 -46.88 73.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.685 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -59.67 -46.75 88.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.745 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.44 HD13 HD11 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -57.69 -47.42 82.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.952 179.834 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.61 -35.25 69.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.78 -45.24 83.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.982 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -59.13 -44.72 92.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.907 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.44 HD11 HD13 ' A' ' 27' ' ' LEU . 68.6 mt -57.62 -48.97 82.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.233 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.414 ' HA ' HD13 ' A' ' 35' ' ' LEU . 38.6 mt-10 -55.32 -42.59 73.97 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.432 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -59.92 -44.78 94.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.948 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -56.68 -30.31 63.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.618 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 32' ' ' GLU . 2.3 mt -73.95 -17.91 60.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.872 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -69.3 -6.57 30.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.738 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.98 112.57 16.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.61 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -79.19 58.73 2.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.211 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.403 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 4.4 mm-40 -111.82 165.93 11.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.805 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.483 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 19.3 m -81.05 -50.26 0.99 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.755 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 40' ' ' THR . 61.9 Cg_endo -72.91 -15.06 26.52 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.129 1.886 . . . . 0.0 112.534 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -81.67 -32.23 31.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -81.33 -25.34 36.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.976 0.417 . . . . 0.0 110.76 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 39.0 mtt -62.56 -32.18 73.11 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.968 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -75.84 -28.21 58.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.304 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 m -62.65 -49.2 76.1 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.423 ' O ' HG21 ' A' ' 50' ' ' ILE . 9.8 mt -60.79 -38.97 80.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.634 178.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.29 -27.11 68.8 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.13 178.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 79.6 m -80.54 -39.67 27.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.26 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.46 HG12 ' CZ ' ' A' ' 66' ' ' PHE . 3.8 tt -70.23 -27.7 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.664 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -74.83 -32.75 62.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.59 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.56 -35.07 58.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.15 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -78.67 -49.12 13.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.961 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.542 ' O ' ' HB ' ' A' ' 58' ' ' ILE . 1.0 OUTLIER -53.21 -27.48 22.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.276 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -85.52 -55.17 4.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.763 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -65.89 -26.43 67.62 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.534 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.6 -60.46 1.99 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.542 ' HB ' ' O ' ' A' ' 54' ' ' ARG . 1.8 mp -55.48 -41.14 61.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.262 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.466 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 62.5 mttt -51.52 -47.84 63.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.504 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.466 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 17.4 p90 -172.27 86.95 0.08 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.09 0.472 . . . . 0.0 111.273 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.534 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -174.4 -98.08 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.508 179.692 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' A' ' 65' ' ' ARG . 31.0 mt-10 -133.84 65.0 1.59 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.13 -179.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.465 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 4.7 pt-20 -53.11 -34.81 58.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.28 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.588 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 37.1 mt-30 -64.71 -19.0 65.51 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.908 0.385 . . . . 0.0 111.155 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -75.29 -18.33 60.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.911 179.689 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.46 ' CZ ' HG12 ' A' ' 50' ' ' ILE . 6.6 t80 -87.29 -48.47 7.98 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.782 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.588 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.3 OUTLIER -63.88 -18.38 64.12 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 177.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -75.43 -57.5 3.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.251 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -65.01 -29.73 70.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.317 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.6 mt -66.76 -51.18 58.85 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.685 0.279 . . . . 0.0 110.47 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -53.9 -42.19 68.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.952 0.406 . . . . 0.0 110.637 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.82 -44.06 64.55 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.868 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.1 tp -59.94 -36.09 76.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.353 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.46 ' HA ' HG11 ' A' ' 77' ' ' VAL . 3.5 tm0? -64.88 -54.81 25.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.413 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -53.76 -33.09 54.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.504 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -81.51 -57.42 3.48 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.164 0.507 . . . . 0.0 110.627 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.465 HG23 ' HB2' ' A' ' 86' ' ' TRP . 9.6 p -52.14 -31.74 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.421 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -55.86 -53.35 57.83 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.562 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.7 mt -62.95 -89.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.962 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.03 172.13 16.22 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 66.96 118.28 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 80.91 11.15 0.91 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.766 0.826 . . . . 0.0 110.378 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.451 ' HA ' HG21 ' A' ' 77' ' ' VAL . 15.1 t-20 -54.64 -42.43 71.24 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.944 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.641 ' H ' ' HD1' ' A' ' 84' ' ' HIS . 3.1 p-80 -62.12 -31.86 72.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.11 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -55.93 -39.18 71.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.028 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.465 ' HB2' HG23 ' A' ' 77' ' ' VAL . 53.5 t-105 -76.01 -42.8 46.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.594 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.46 -27.82 67.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.043 0.449 . . . . 0.0 109.929 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 54.8 mt -86.04 -59.85 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.517 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.49 HG13 HD11 ' A' ' 94' ' ' ILE . 18.6 t -46.81 -34.92 2.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.498 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.422 ' HB ' ' O ' ' A' ' 86' ' ' TRP . 1.1 t -76.62 -48.55 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.337 . . . . 0.0 110.153 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -55.03 -40.21 69.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.775 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.92 -1.65 3.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.18 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.05 5.58 87.08 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.942 -0.647 . . . . 0.0 113.316 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.49 HD11 HG13 ' A' ' 89' ' ' VAL . 39.8 mt -60.84 126.7 19.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 117.11 0.455 . . . . 0.0 110.568 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.415 ' HA ' HD13 ' A' ' 116' ' ' LEU . 35.7 p -97.93 -166.48 1.38 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.184 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.542 HD22 HD13 ' A' ' 116' ' ' LEU . 0.5 OUTLIER -103.19 170.39 7.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.947 -179.237 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.507 ' O ' HG11 ' A' ' 107' ' ' VAL . 1.3 mp -67.76 103.25 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.1 m -99.76 140.2 34.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.054 0.455 . . . . 0.0 111.994 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.534 ' HB3' ' N ' ' A' ' 107' ' ' VAL . 6.4 ptmt -49.13 -54.93 14.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.923 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.442 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 47.1 tt0 -57.39 -29.99 64.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.494 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -109.1 22.16 16.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.143 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.63 -95.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.265 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.6 t -137.27 -18.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.569 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 174.1 57.59 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.194 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.421 ' HA ' ' HB2' ' A' ' 99' ' ' LYS . 4.4 m 51.6 46.29 26.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.808 0.337 . . . . 0.0 111.151 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 m -123.39 89.12 3.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.352 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.534 ' N ' ' HB3' ' A' ' 99' ' ' LYS . 1.2 t 174.41 146.6 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.998 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.39 150.18 27.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.097 0.475 . . . . 0.0 111.675 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.18 -13.12 58.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.308 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 15.1 mt-10 -63.12 -21.91 66.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.895 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.431 ' HG3' HD11 ' A' ' 96' ' ' LEU . 6.1 tt0 -85.32 -51.06 6.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.912 0.387 . . . . 0.0 111.187 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.521 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -67.77 -24.86 65.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.218 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -87.59 -52.1 5.52 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 2.9 tmtp? -64.72 -31.35 72.53 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -178.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 111' ' ' GLU . 15.3 m-85 -78.28 -47.35 18.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.59 0.233 . . . . 0.0 111.556 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.542 HD13 HD22 ' A' ' 96' ' ' LEU . 1.5 mt -91.27 37.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.927 0.394 . . . . 0.0 110.8 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.2 150.53 49.68 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.82 -176.0 1.36 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.469 2.113 . . . . 0.0 112.342 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -148.71 158.74 44.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.972 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.423 ' H3 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.423 ' HD3' ' H3 ' ' A' ' 1' ' ' GLY . 52.3 Cg_exo -55.38 149.26 47.43 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.661 2.24 . . . . 0.0 112.265 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.6 p -137.79 146.33 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.023 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -108.64 134.71 20.2 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -66.05 -41.68 12.79 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.579 2.186 . . . . 0.0 112.384 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.9 -43.25 75.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.355 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -66.06 -46.3 78.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.134 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -63.91 -33.21 75.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.981 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -70.4 -50.49 38.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -59.45 -37.97 79.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.254 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.6 t -72.01 -44.63 65.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.384 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.92 -31.18 68.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.377 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.5 m -94.76 -9.58 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.616 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -90.51 -57.04 2.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.812 0.339 . . . . 0.0 111.387 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -55.32 -27.81 49.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.341 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.64 132.02 0.11 Allowed 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.99 91.8 0.22 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.182 0.515 . . . . 0.0 110.444 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.19 -54.53 39.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.301 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 t -174.07 -29.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.045 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.9 t80 75.82 -56.41 0.59 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.242 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -52.88 -46.37 67.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.324 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -61.43 -48.17 82.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.01 -33.77 76.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.711 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -65.84 -53.36 41.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.127 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -51.93 -42.6 62.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.472 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -65.63 -44.56 86.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.302 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.17 -44.05 78.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.772 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.6 mp -65.95 -43.15 92.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.661 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -43.05 93.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.437 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -61.0 -50.15 74.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.211 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.5 mt -57.04 -49.51 79.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.583 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -56.17 -36.04 67.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.763 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -67.31 -47.28 71.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.301 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -59.52 -24.14 63.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.792 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.9 -50.23 73.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.709 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -51.86 -18.61 1.36 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.195 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.44 99.84 11.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.485 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -77.2 45.81 0.47 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.451 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.514 ' HB2' ' HB2' ' A' ' 42' ' ' TYR . 15.4 mm-40 -102.74 146.36 28.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 110.781 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.489 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.2 m -62.62 -50.37 78.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.103 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 40' ' ' THR . 59.9 Cg_endo -71.75 -18.78 28.26 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.108 1.872 . . . . 0.0 112.738 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.514 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 9.0 m-85 -79.01 -41.14 29.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.108 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -65.55 -17.63 64.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 55.1 mtt -74.53 -26.94 60.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.322 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -73.13 -33.73 65.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.875 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -50.99 60.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.054 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.438 ' O ' HG23 ' A' ' 50' ' ' ILE . 13.8 mt -59.19 -41.85 85.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.137 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.98 -26.63 67.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.941 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -81.44 -44.42 17.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.497 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.49 HG23 ' N ' ' A' ' 51' ' ' ARG . 11.6 tt -66.02 -27.62 41.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.775 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.49 ' N ' HG23 ' A' ' 50' ' ' ILE . 1.6 mtm180 -79.0 -31.0 44.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.788 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.13 -37.67 45.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.414 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -75.72 -48.39 22.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.636 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 0.4 OUTLIER -49.01 -46.43 44.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.3 179.64 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -66.86 -47.39 72.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.661 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.22 -31.35 71.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.657 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.536 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -83.04 -54.07 5.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.558 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.531 HG13 ' H ' ' A' ' 59' ' ' LYS . 1.7 pp -57.48 -43.51 83.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.984 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.531 ' H ' HG13 ' A' ' 58' ' ' ILE . 55.1 mttt -49.46 -52.27 30.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.533 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.432 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 19.7 p90 -176.44 88.52 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.078 0 CA-C-O 121.14 0.495 . . . . 0.0 111.298 178.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.536 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 3.3 t -173.56 -96.77 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.752 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 65' ' ' ARG . 36.1 mt-10 -135.56 64.93 1.56 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.165 -179.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.504 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 13.6 pt-20 -53.41 -34.18 56.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.294 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.575 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 55.3 mt-30 -67.47 -18.04 64.92 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.936 0.398 . . . . 0.0 111.009 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.455 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 5.8 ttt180 -74.89 -17.64 60.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.332 0.587 . . . . 0.0 109.557 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -86.84 -48.85 7.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.636 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.575 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.3 OUTLIER -66.55 -18.84 65.59 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.458 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -72.19 -57.96 3.81 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.123 178.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -68.68 -23.71 64.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.891 178.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.466 ' HB2' ' HA ' ' A' ' 67' ' ' ASN . 9.1 mt -67.25 -52.11 44.81 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.501 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -57.63 -42.32 83.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.718 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.51 -45.97 64.57 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.063 0.459 . . . . 0.0 111.245 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.8 tp -59.77 -58.66 7.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.628 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -48.71 -58.47 4.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.029 -179.335 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -52.98 -41.3 64.46 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.519 -178.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -66.22 -58.17 5.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.35 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.453 ' HA ' ' HB2' ' A' ' 81' ' ' GLN . 0.9 OUTLIER -63.29 -22.98 32.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.685 -179.437 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -60.52 -49.72 76.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.126 179.432 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.4 mt -69.95 54.13 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 112.964 0.728 . . . . 0.0 112.964 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 80' ' ' LYS . 0.6 OUTLIER 50.61 64.46 1.81 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 177.674 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.465 ' HB3' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -122.44 -77.27 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.999 178.634 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 81' ' ' GLN . 0.1 OUTLIER -136.65 62.43 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.989 0.423 . . . . 0.0 110.867 179.097 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -66.83 -24.08 66.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.232 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -53.14 -52.11 59.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.598 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -52.05 -42.66 63.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.555 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -61.46 -40.69 95.44 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.178 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -64.43 -38.81 92.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.073 0.463 . . . . 0.0 109.902 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.7 mt -77.8 -18.58 13.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.982 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.572 HG13 ' HB ' ' A' ' 94' ' ' ILE . 2.7 t -81.52 -40.59 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.164 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.1 p -76.98 -36.46 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.339 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -62.49 -48.89 77.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.61 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -10.48 4.88 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.315 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.44 30.22 14.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.949 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.572 ' HB ' HG13 ' A' ' 89' ' ' VAL . 15.7 mt -92.54 116.44 33.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.037 0.446 . . . . 0.0 110.69 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.518 HG23 ' H ' ' A' ' 97' ' ' ILE . 11.7 t -92.78 -167.02 1.65 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.556 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.631 ' HB2' ' HA ' ' A' ' 112' ' ' ALA . 1.1 mm? -98.83 5.19 47.57 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.578 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.599 ' HB ' ' O ' ' A' ' 96' ' ' LEU . 0.5 OUTLIER 84.72 121.17 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 O-C-N 124.132 0.895 . . . . 0.0 109.742 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.72 150.55 33.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.592 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.504 ' HB2' ' HA ' ' A' ' 105' ' ' SER . 0.0 OUTLIER -43.44 -56.7 3.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.789 179.655 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.413 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 2.8 tt0 -62.4 -26.39 68.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.441 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -103.64 16.31 26.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.146 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.87 -94.48 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.274 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.9 -16.24 0.69 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.924 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 175.24 57.6 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.428 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.504 ' HA ' ' HB2' ' A' ' 99' ' ' LYS . 58.1 m 52.93 43.65 31.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.675 0.274 . . . . 0.0 111.363 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.89 89.01 3.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.77 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 97' ' ' ILE . 0.9 OUTLIER 170.5 139.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.929 179.112 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.05 150.35 46.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 111.232 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.17 -48.46 12.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.661 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -42.2 -21.89 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.218 179.174 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.423 ' CG ' ' HB3' ' A' ' 96' ' ' LEU . 3.9 tt0 -74.26 -52.53 12.04 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.416 0.627 . . . . 0.0 109.744 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.631 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -78.76 -19.61 51.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.88 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -88.54 -48.56 7.49 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 0.5 OUTLIER -72.53 -20.3 61.37 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -178.054 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.498 ' CG ' ' HG ' ' A' ' 96' ' ' LEU . 4.9 m-85 -83.34 -47.69 11.2 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 95' ' ' THR . 2.0 mp -82.33 57.65 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 111.147 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -112.36 154.9 44.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -64.88 137.45 53.36 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.444 2.096 . . . . 0.0 112.309 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -94.56 -60.59 1.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.99 -179.78 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.651 2.234 . . . . 0.0 112.326 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.1 p -165.59 137.32 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 64.69 113.2 0.03 OUTLIER Pre-proline 0 CA--C 1.53 0.208 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.913 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.99 -29.53 54.89 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.452 2.102 . . . . 0.0 112.567 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.73 -37.41 84.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.054 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -72.17 -47.87 47.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.805 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -62.38 -29.07 70.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.654 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -72.55 -52.42 15.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.626 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 10' ' ' ARG . 51.2 mtt180 -57.3 -34.94 69.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.006 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 84.1 t -78.03 -45.96 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.004 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 mt -51.87 -32.15 30.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.5 m -89.25 -40.16 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -82.29 56.0 3.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -116.1 -47.7 2.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.758 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.583 ' HG3' ' H ' ' A' ' 17' ' ' LYS . 22.3 pttt 179.59 -52.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.691 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.583 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 20.0 tttt -176.38 61.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.92 -2.32 57.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.055 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 m 68.64 127.47 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.983 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -62.92 -32.57 73.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.187 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -48.9 -64.91 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -52.3 -51.07 60.67 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.56 -38.85 82.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.565 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.7 m -65.9 -53.01 45.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.595 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -53.54 -49.38 67.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.529 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -56.47 -48.32 77.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.435 HD13 HD13 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -56.41 -49.15 75.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.949 179.756 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.6 mm -59.0 -43.14 88.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.594 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -62.36 -46.21 89.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.73 0.3 . . . . 0.0 110.407 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -47.87 70.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.906 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.435 HD13 HD13 ' A' ' 27' ' ' LEU . 79.9 mt -58.55 -48.87 84.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.58 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -54.33 -42.37 70.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.759 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -63.25 -49.49 73.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.162 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -53.22 -25.98 16.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.655 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 mt -79.08 -39.18 34.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.698 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -59.36 -42.78 92.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.48 -30.75 67.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 58.96 39.48 23.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.976 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -99.98 127.73 46.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.435 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 1.2 m -54.3 -48.45 94.52 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.844 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.435 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 48.2 Cg_exo -56.28 -65.31 0.11 Allowed 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.154 1.903 . . . . 0.0 112.509 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -45.67 -30.85 1.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.41 ' HB2' ' O ' ' A' ' 40' ' ' THR . 2.0 m-85 -58.08 -38.29 76.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.811 0.339 . . . . 0.0 110.776 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.2 mtt -57.02 -25.65 58.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.509 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.23 -55.15 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.109 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 49' ' ' CYS . 0.7 OUTLIER -43.25 -47.15 6.44 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.621 178.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.4 mt -56.84 -50.16 76.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.096 0.474 . . . . 0.0 109.964 178.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -63.76 -18.55 64.17 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.024 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 46' ' ' SER . 73.8 m -81.97 -47.17 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.68 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -24.87 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-O 121.159 0.504 . . . . 0.0 110.1 178.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -77.84 -52.49 8.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.951 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.97 -33.19 70.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.872 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.415 ' HB3' ' HE1' ' A' ' 66' ' ' PHE . 4.7 t80 -72.69 -53.17 12.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.767 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -58.48 -31.12 67.54 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.759 0.314 . . . . 0.0 110.998 -179.65 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.19 -53.28 17.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.884 0.373 . . . . 0.0 110.606 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.54 -23.93 66.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.584 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.538 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.68 -58.29 2.66 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.714 0.292 . . . . 0.0 111.481 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 53.6 mt -55.34 -43.15 70.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.73 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.446 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 37.0 mttt -49.78 -53.68 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.482 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.446 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 21.6 p90 -178.59 90.39 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.197 0.522 . . . . 0.0 110.9 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.538 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -172.75 -99.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.302 179.826 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -131.32 64.67 1.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 0.0 111.248 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -53.18 -35.62 60.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.232 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.588 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 21.3 mt-30 -68.49 -22.17 64.56 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.965 0.412 . . . . 0.0 111.114 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 65' ' ' ARG . 4.4 ttt180 -73.05 -19.96 61.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.149 0.5 . . . . 0.0 109.837 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 54' ' ' ARG . 1.2 t80 -87.41 -46.03 10.01 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.588 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.5 OUTLIER -65.5 -18.18 65.12 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 178.471 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -77.59 -58.12 3.44 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.638 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -62.95 -33.56 75.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.954 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.43 HD12 HD21 ' A' ' 96' ' ' LEU . 12.2 mt -65.19 -47.81 75.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.117 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -54.39 -44.67 72.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.467 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.06 -44.85 75.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.742 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 tp -51.47 -40.64 59.88 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.383 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.435 ' HA ' HG12 ' A' ' 77' ' ' VAL . 0.7 OUTLIER -65.09 -50.28 66.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.148 178.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.504 ' O ' HG12 ' A' ' 79' ' ' ILE . 5.4 mt-10 -62.4 -24.73 67.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.998 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -82.46 -52.33 6.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.925 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 74' ' ' GLN . 10.9 p -54.13 -31.52 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.51 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.443 ' C ' ' H ' ' A' ' 80' ' ' LYS . 7.1 mt-10 -64.25 -42.62 96.4 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 75' ' ' GLU . 28.8 mm -59.02 -6.45 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.652 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 76.66 114.72 0.06 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.052 179.787 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 176.85 -40.02 0.01 OUTLIER 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.794 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.78 45.75 2.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.298 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -59.33 -27.6 66.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.873 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -79.28 -38.29 35.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.793 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.409 ' C ' HG23 ' A' ' 88' ' ' ILE . 25.0 t80 -61.25 -24.47 66.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.747 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.476 ' O ' ' HB ' ' A' ' 90' ' ' VAL . 56.9 t-105 -86.98 -48.46 8.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.341 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -59.61 -22.17 61.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.454 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.409 HG23 ' C ' ' A' ' 85' ' ' PHE . 2.1 tt -86.73 -57.69 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.009 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 30.3 m -56.95 -36.17 49.56 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-O 120.839 0.352 . . . . 0.0 111.323 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' A' ' 86' ' ' TRP . 0.9 OUTLIER -68.69 -59.44 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.929 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.42 ' N ' HG11 ' A' ' 90' ' ' VAL . 19.1 mt-30 -52.77 -31.53 38.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.075 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.1 4.44 2.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.403 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.56 1.79 72.56 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.877 -0.678 . . . . 0.0 113.237 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.2 mt -67.49 134.39 30.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 117.091 0.446 . . . . 0.0 110.863 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 t -129.11 159.82 34.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.013 0.435 . . . . 0.0 111.627 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.43 HD21 HD12 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -58.5 176.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.589 -179.824 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.45 121.59 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.424 ' HB ' ' HB2' ' A' ' 101' ' ' GLU . 0.1 OUTLIER -101.51 142.42 32.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.142 179.651 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.446 ' HG3' ' H ' ' A' ' 100' ' ' GLU . 0.1 OUTLIER -39.27 -85.18 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.65 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.566 ' C ' ' H ' ' A' ' 102' ' ' ALA . 19.2 tt0 -53.14 -20.41 3.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.032 -178.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.424 ' HB2' ' HB ' ' A' ' 98' ' ' THR . 2.9 tt0 -68.17 15.08 0.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.681 0.277 . . . . 0.0 111.213 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.566 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -121.95 -60.13 1.61 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.981 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.95 -40.23 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.642 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 171.82 43.77 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.641 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.69 129.53 53.71 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-O 121.261 0.553 . . . . 0.0 111.509 -179.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.3 p -65.84 140.74 58.41 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.443 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.445 ' N ' ' HB3' ' A' ' 99' ' ' LYS . 3.4 t -139.01 138.51 41.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.226 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.93 149.08 15.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.296 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.34 -12.69 57.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.132 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.447 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 2.0 mt-10 -84.29 -16.64 42.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.305 -179.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -82.35 -48.36 11.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.968 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.24 -43.48 11.55 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -80.48 -47.57 14.1 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -177.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.447 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 0.2 OUTLIER -64.26 -34.05 77.22 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -178.296 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -68.29 -47.14 68.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.755 0.312 . . . . 0.0 111.201 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mp -110.3 61.77 0.6 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.097 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -82.7 153.45 67.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.965 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -67.05 -26.61 43.05 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.464 2.109 . . . . 0.0 112.32 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -112.46 -0.88 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -57.02 -29.65 83.71 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.594 2.196 . . . . 0.0 112.268 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.0 t -106.51 142.61 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.057 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.405 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.6 t30 -110.14 137.44 20.56 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 4' ' ' ASN . 25.6 Cg_exo -63.07 -37.61 51.39 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.614 2.21 . . . . 0.0 112.257 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.51 -31.33 69.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.202 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -72.74 -52.29 15.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.727 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -63.87 -25.35 68.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -74.79 -54.75 6.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.73 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -55.33 -29.45 58.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.041 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.9 t -85.26 -46.04 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.041 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 tp -53.8 -33.25 55.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.151 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.417 ' C ' ' H ' ' A' ' 15' ' ' GLN . 5.8 m -79.53 -49.77 19.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.815 0.341 . . . . 0.0 110.644 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -80.34 37.88 0.4 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.18 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.417 ' H ' ' C ' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -85.31 -48.86 8.65 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.358 -179.367 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER 174.06 -38.74 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.566 0.222 . . . . 0.0 111.22 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 5.4 mmtp -129.86 -29.32 2.12 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.406 ' HB2' ' HA ' ' A' ' 13' ' ' VAL . . . -52.92 104.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.953 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 t -85.84 -67.22 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.492 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -179.34 44.85 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.014 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -121.28 -68.33 0.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 111.135 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -66.86 -43.37 83.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.47 -30.31 69.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.452 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.6 m -73.63 -58.03 3.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.809 0.338 . . . . 0.0 110.793 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -52.86 -42.74 65.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.84 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -62.05 -47.99 82.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.733 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -47.27 79.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.75 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -33.79 66.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -65.7 -44.82 84.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.155 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -44.79 95.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.914 179.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -57.49 -50.9 75.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.232 179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -57.39 -47.87 80.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.934 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -53.72 -48.86 69.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.51 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -54.31 -44.1 71.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.817 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.45 -18.1 57.38 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.97 0.414 . . . . 0.0 110.988 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -77.63 -5.87 51.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.802 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 60.0 p -126.9 118.41 24.52 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.624 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -76.69 126.41 30.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.745 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -162.31 165.11 27.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.68 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.556 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 11.6 m -82.18 -50.62 0.82 Allowed Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.556 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 65.3 Cg_endo -88.9 8.91 3.76 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.501 2.134 . . . . 0.0 113.693 -178.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -87.11 -35.06 18.89 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.214 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -64.64 -17.74 64.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.935 0.397 . . . . 0.0 110.717 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -77.13 -27.29 53.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.389 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -32.4 60.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.659 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.05 -52.34 43.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.244 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.9 mt -59.38 -40.25 81.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.509 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -62.27 -26.21 68.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.002 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.7 m -83.41 -47.77 11.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.323 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.482 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 6.3 tt -63.62 -20.77 27.05 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.084 0 CA-C-O 120.961 0.41 . . . . 0.0 110.614 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -78.65 -53.87 6.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.104 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.89 -31.98 72.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.905 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -72.77 -54.92 7.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.482 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -53.89 -39.83 66.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.262 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -64.47 -50.87 65.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.813 0.339 . . . . 0.0 111.256 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.92 -24.05 67.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.34 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.545 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -86.25 -57.79 2.88 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.767 0.318 . . . . 0.0 110.857 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.452 HG13 ' H ' ' A' ' 59' ' ' LYS . 1.9 pp -53.89 -40.19 43.43 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.204 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.197 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.452 ' H ' HG13 ' A' ' 58' ' ' ILE . 37.1 mttt -49.97 -54.19 21.51 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.516 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -177.28 80.16 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.348 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.545 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 7.6 t -160.79 -99.41 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.759 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.4 ' H ' ' HB3' ' A' ' 61' ' ' SER . 11.5 mm-40 -132.67 65.39 1.59 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.009 0.433 . . . . 0.0 111.379 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -52.44 -35.74 52.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.493 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.606 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 48.6 mt-30 -70.53 -18.38 62.94 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.737 0.303 . . . . 0.0 111.109 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -79.21 -20.52 48.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.11 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.51 -47.06 9.04 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.844 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.606 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -66.98 -18.79 65.55 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 178.322 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -69.98 -57.7 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.205 -1.361 . . . . 0.0 108.844 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -70.88 -25.41 62.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.873 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.516 ' HB2' ' HA ' ' A' ' 67' ' ' ASN . 9.7 mt -67.93 -48.0 67.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.633 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -58.0 -35.5 71.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.875 0.369 . . . . 0.0 110.741 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.45 -42.29 30.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.095 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.4 tp -62.93 -45.96 90.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.694 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -57.99 -53.67 55.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.158 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.15 -33.08 74.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.345 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -69.61 -57.35 5.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.329 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.403 HG13 ' HG ' ' A' ' 82' ' ' LEU . 1.4 m -66.73 -28.14 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.162 -179.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 74' ' ' GLN . 1.4 mt-10 -57.77 -52.57 64.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.94 0.4 . . . . 0.0 109.992 179.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.1 mm -61.21 -82.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.779 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -152.52 105.13 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.783 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.466 ' HB3' HD22 ' A' ' 82' ' ' LEU . 1.7 mt-30 -173.66 -75.97 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.488 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.466 HD22 ' HB3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -152.15 69.67 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.918 179.636 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -67.16 -18.56 65.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.631 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -66.17 -39.81 90.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.628 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -60.13 -28.66 68.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.746 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 -78.38 -47.17 18.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.776 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -62.76 -22.27 66.45 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.202 0.525 . . . . 0.0 110.053 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 62.6 mt -85.49 -59.92 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.838 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.469 HG11 HD12 ' A' ' 94' ' ' ILE . 11.7 t -47.48 -33.82 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.497 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.1 p -76.84 -49.21 24.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.769 0.319 . . . . 0.0 110.707 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -56.39 -39.37 72.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.994 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.12 -2.26 4.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.454 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.08 46.53 21.71 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.747 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.469 HD12 HG11 ' A' ' 89' ' ' VAL . 53.6 mt -105.62 131.16 55.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.938 0.399 . . . . 0.0 110.883 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.506 ' HA ' HD12 ' A' ' 116' ' ' LEU . 16.6 p -99.71 -166.79 1.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.709 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.527 HD23 ' HG3' ' A' ' 111' ' ' GLU . 1.1 tp -101.95 -135.5 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.072 -179.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.411 ' O ' HG23 ' A' ' 97' ' ' ILE . 1.3 mp -117.27 115.22 48.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 120.942 0.401 . . . . 0.0 111.658 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.48 ' HA ' ' HB ' ' A' ' 107' ' ' VAL . 0.2 OUTLIER -103.24 132.91 49.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.983 178.562 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.555 ' H ' ' HB ' ' A' ' 107' ' ' VAL . 33.5 mtpt -54.85 -33.33 61.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.699 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -59.0 -25.06 63.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.892 0.377 . . . . 0.0 110.691 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -75.21 -21.39 58.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.326 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -137.24 -69.36 0.46 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.899 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.468 ' HB2' ' HG2' ' A' ' 99' ' ' LYS . 0.6 OUTLIER -52.64 -90.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.616 -179.398 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.91 -58.18 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.368 -0.92 . . . . 0.0 113.156 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.7 p -66.0 -154.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.827 0.346 . . . . 0.0 111.549 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 107' ' ' VAL . 18.7 t -124.06 89.74 3.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.055 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.555 ' HB ' ' H ' ' A' ' 99' ' ' LYS . 1.2 t -24.99 133.11 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.211 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.421 ' HB ' ' HG2' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -47.98 151.35 0.96 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.577 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 113' ' ' LYS . . . -60.87 -31.72 71.17 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.315 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.421 ' HG2' ' HB ' ' A' ' 108' ' ' THR . 0.7 OUTLIER -50.14 -26.18 4.27 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.807 179.801 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.527 ' HG3' HD23 ' A' ' 96' ' ' LEU . 1.4 tt0 -89.8 -59.04 2.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.038 0.447 . . . . 0.0 111.16 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -80.1 -34.26 38.06 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 109' ' ' ALA . 29.7 mttt -88.58 -42.89 11.77 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -177.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.73 -31.62 72.39 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -178.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -75.14 -47.34 28.99 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 95' ' ' THR . 1.5 mp -79.94 -31.68 40.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.647 0.26 . . . . 0.0 111.395 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -122.1 136.5 26.37 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.15 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.75 -47.3 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.446 2.097 . . . . 0.0 112.41 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -120.43 175.53 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.08 146.48 58.55 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.694 2.263 . . . . 0.0 112.347 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.8 t -102.82 -58.64 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.205 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -108.18 135.21 19.94 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -61.0 -34.89 90.0 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.499 2.133 . . . . 0.0 112.256 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.79 -18.37 61.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.045 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -85.09 -56.47 3.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.031 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -63.08 -30.83 71.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -70.93 -53.72 13.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.996 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -54.47 -40.08 68.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.498 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.1 p -77.42 -42.03 30.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.667 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.01 -39.82 72.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.382 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.2 m -83.03 -6.71 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.266 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -112.73 43.04 1.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -109.34 -47.61 3.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.85 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HG3' ' H ' ' A' ' 17' ' ' LYS . 2.5 pttt -178.92 -55.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.771 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.531 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 4.0 mttt -173.62 74.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.833 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.3 -3.5 53.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 m 72.35 122.89 0.04 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.852 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -60.92 -31.47 70.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.245 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -53.0 -55.91 20.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.891 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -55.97 -50.28 71.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.621 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.38 82.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.064 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.6 t -63.3 -53.05 58.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.672 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -55.95 -43.89 77.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.87 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.05 -49.23 78.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.073 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.489 HD12 HD12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -57.69 -45.82 85.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.3 -32.84 59.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.89 0.376 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -67.53 -45.64 75.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.324 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -61.62 -44.39 97.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.188 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.489 HD12 HD12 ' A' ' 27' ' ' LEU . 89.8 mt -58.7 -49.61 82.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.591 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -55.49 -42.88 75.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.679 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -61.61 -47.1 86.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.56 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -56.38 -37.31 69.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.57 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.406 ' C ' ' H ' ' A' ' 37' ' ' THR . 8.8 mt -61.46 -45.24 95.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.764 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.02 -0.75 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.425 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.406 ' H ' ' C ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -120.05 119.18 32.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.08 0.466 . . . . 0.0 110.559 179.859 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -82.16 107.31 14.76 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.699 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -162.87 131.9 4.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.509 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.469 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 1.5 m -64.12 -50.07 70.54 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.738 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.469 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 16.8 Cg_exo -67.62 -12.59 36.11 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.345 2.03 . . . . 0.0 112.412 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -86.19 -41.97 14.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.131 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.15 -31.08 70.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.919 0.39 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -31.98 73.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.114 0.483 . . . . 0.0 110.077 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -71.43 -31.44 67.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.687 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.49 -50.12 60.38 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.2 mt -57.88 -43.72 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.818 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.44 -28.9 67.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.031 179.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 36.3 m -77.6 -43.83 30.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.034 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.86 -31.95 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.748 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -72.07 -35.17 69.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.022 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.71 -36.19 57.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.452 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -75.8 -51.17 13.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.791 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.0 mtp-105 -48.07 -45.56 32.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.379 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -70.03 -44.57 68.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.683 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.84 -34.99 79.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.552 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.61 -53.5 4.92 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.806 0.298 . . . . 0.0 111.806 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.405 ' HA ' ' HB3' ' A' ' 63' ' ' GLU . 71.5 mt -53.85 -46.42 63.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.006 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.459 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 33.4 mttm -49.56 -50.29 42.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.665 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.459 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 23.6 p90 -175.79 99.76 0.07 Allowed 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.103 0.478 . . . . 0.0 111.086 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.552 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.6 OUTLIER 179.2 -93.44 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.23 179.707 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -138.55 59.95 1.62 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.868 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.409 ' O ' ' OD1' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -53.51 -37.34 62.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.645 179.754 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.593 ' HA ' HD22 ' A' ' 67' ' ' ASN . 16.8 tt0 -69.04 -10.2 56.35 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.594 0.235 . . . . 0.0 111.607 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -82.26 -59.02 2.69 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.556 178.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.14 -47.88 34.46 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.704 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.593 HD22 ' HA ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -62.0 -54.97 34.2 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.755 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -41.59 -51.77 3.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.443 178.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -71.94 -31.55 66.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.749 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 67' ' ' ASN . 1.1 mt -59.19 -40.92 87.22 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.147 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -62.91 -33.13 74.68 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.503 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.88 -41.11 60.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.433 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.5 tp -57.5 -40.92 79.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.774 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.402 ' HA ' HG12 ' A' ' 77' ' ' VAL . 4.5 tm0? -60.6 -48.9 79.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.173 178.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -64.09 -24.41 67.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.959 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.549 ' HA ' HD12 ' A' ' 79' ' ' ILE . 30.3 mttp -81.18 -51.6 8.25 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.161 0.505 . . . . 0.0 110.173 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.402 HG12 ' HA ' ' A' ' 74' ' ' GLN . 9.5 p -60.89 -26.5 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.583 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.546 ' C ' ' H ' ' A' ' 80' ' ' LYS . 4.6 mt-10 -59.64 -49.22 78.6 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.23 178.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 76' ' ' LYS . 2.8 mt -60.4 3.19 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.398 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.546 ' H ' ' C ' ' A' ' 78' ' ' GLU . 1.5 ptpt 79.69 108.32 0.07 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.75 0.786 . . . . 0.0 111.305 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -166.11 -54.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.663 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.97 55.39 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.508 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -63.29 -36.76 84.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.064 0.459 . . . . 0.0 110.37 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -67.54 -44.37 78.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.619 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -52.13 -47.5 65.33 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.961 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 24.8 t-105 -57.77 -43.24 85.38 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.29 -41.19 94.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.053 0.454 . . . . 0.0 110.146 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 7.1 mt -73.75 -19.66 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.376 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.479 ' HA ' HD12 ' A' ' 94' ' ' ILE . 4.0 t -78.25 -41.23 26.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.265 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.5 p -73.96 -29.72 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.062 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -75.18 -50.86 14.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.689 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -57.49 -18.65 19.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.654 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.41 -24.48 31.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.279 -0.963 . . . . 0.0 113.976 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 89' ' ' VAL . 1.1 pt -46.7 112.48 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 117.563 0.681 . . . . 0.0 110.837 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 43.8 p -93.52 -167.21 1.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.974 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 111' ' ' GLU . 0.9 OUTLIER -88.83 -163.02 0.92 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.686 -179.103 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.482 ' HB ' ' HB3' ' A' ' 67' ' ' ASN . 1.2 mp -108.76 109.97 30.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.021 0.438 . . . . 0.0 111.255 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.13 137.02 43.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.767 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.653 ' H ' ' HB ' ' A' ' 107' ' ' VAL . 4.1 mtmt -54.08 -31.13 50.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 0.0 110.77 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -72.25 -30.28 64.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.45 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -67.03 -8.88 33.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.052 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -147.14 -127.58 0.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.523 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 97.3 p -89.51 153.95 20.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.741 0.305 . . . . 0.0 110.846 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 105.29 -142.84 15.58 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.705 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.511 ' H ' ' HD2' ' A' ' 99' ' ' LYS . 29.7 m -119.98 -116.52 0.32 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.7 t -123.94 88.51 2.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.745 0.307 . . . . 0.0 110.231 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.653 ' HB ' ' H ' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -45.13 150.13 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.877 -179.851 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.7 t -47.88 150.88 1.01 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.551 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.443 ' HB1' ' HB2' ' A' ' 113' ' ' LYS . . . -69.99 -27.07 64.4 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.102 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -44.42 -21.86 0.06 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.541 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 1.9 tt0 -88.95 -59.86 2.11 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.951 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.456 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -78.55 -33.0 48.12 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -178.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.443 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 11.8 tttm -87.64 -42.62 12.55 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -178.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -33.34 71.64 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -178.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 111' ' ' GLU . 18.1 m-85 -79.26 -47.14 16.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.737 0.303 . . . . 0.0 111.329 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.37 57.09 4.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.88 0.372 . . . . 0.0 110.842 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -94.23 151.51 39.58 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.04 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.62 176.56 6.5 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.497 2.131 . . . . 0.0 112.316 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -148.64 143.86 26.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.978 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 112.577 -0.209 . . . . 0.0 112.577 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.3 164.37 3.93 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.64 2.227 . . . . 0.0 112.394 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.2 t -137.3 114.17 12.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 62.79 105.33 0.03 OUTLIER Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.03 -33.51 26.67 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.505 2.137 . . . . 0.0 112.668 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.45 -39.14 77.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.168 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -71.75 -46.14 59.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -62.54 -34.27 76.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.04 -47.85 60.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.803 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.2 mtp-105 -61.24 -37.41 83.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.8 t -71.81 -44.97 67.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.266 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.58 -28.85 67.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.439 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.9 m -95.51 -5.6 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.695 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.62 -53.93 2.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.477 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -63.48 -11.71 25.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.27 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -175.94 132.26 0.25 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -81.46 87.9 6.18 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.569 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.35 30.04 1.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m 65.08 140.4 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.303 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -79.51 63.12 4.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.425 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -129.42 -63.38 0.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.99 -44.51 89.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.11 94.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.328 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 84.1 p -70.09 -54.8 11.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.838 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -51.46 -49.58 61.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.51 -45.92 87.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.566 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.36 -49.9 73.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.789 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.5 mp -58.54 -42.38 84.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.11 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -60.56 -45.44 93.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.882 0.372 . . . . 0.0 110.257 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -57.01 -47.25 81.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.845 179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.1 mt -56.48 -49.48 77.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.196 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -54.14 -45.34 71.96 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.661 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -59.38 -46.04 89.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.255 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -55.21 -32.0 61.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.928 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.0 mt -72.44 -18.4 61.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.218 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -66.76 -8.98 32.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.789 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.34 110.64 14.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.558 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -78.45 64.91 3.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.087 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.418 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 5.6 mm-40 -113.77 147.4 38.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.796 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.484 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 5.5 m -60.52 -50.19 86.64 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.721 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 40' ' ' THR . 66.3 Cg_endo -73.45 -9.12 22.64 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.193 1.929 . . . . 0.0 112.619 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -85.0 -31.78 23.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.136 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -76.58 -19.59 57.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.938 0.399 . . . . 0.0 110.624 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 63.2 mtt -69.77 -30.79 68.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.354 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.87 -27.07 43.99 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.395 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.69 -52.16 53.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.975 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.7 mt -60.97 -38.67 79.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.164 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -24.6 66.85 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.745 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -85.92 -47.26 9.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.184 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.41 HG12 ' HZ ' ' A' ' 66' ' ' PHE . 6.9 tt -64.31 -20.37 26.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 121.004 0.43 . . . . 0.0 110.477 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -78.54 -54.33 6.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.989 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.29 -31.08 69.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.661 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -77.3 -58.23 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.983 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -55.03 -28.73 54.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -75.18 -60.38 2.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.388 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.04 -21.27 66.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.87 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.548 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.8 -62.27 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 0.0 111.717 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 50.6 mm -57.02 -37.94 57.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.557 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -55.91 -44.41 78.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -176.3 89.11 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 121.171 0.51 . . . . 0.0 111.251 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.548 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -175.18 -98.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.312 179.625 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -129.65 66.2 1.47 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.937 0.399 . . . . 0.0 110.822 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -51.1 -36.77 42.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.711 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.571 ' HA ' HD22 ' A' ' 67' ' ' ASN . 56.6 mt-30 -69.28 -23.41 63.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.84 0.352 . . . . 0.0 111.278 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 65' ' ' ARG . 8.6 ttt180 -71.49 -23.7 61.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.232 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.41 ' HZ ' HG12 ' A' ' 50' ' ' ILE . 19.1 t80 -87.57 -46.05 9.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.732 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.571 HD22 ' HA ' ' A' ' 64' ' ' GLN . 4.6 p30 -67.22 -18.7 65.35 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -75.51 -57.53 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.252 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -63.54 -32.25 73.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.576 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.442 HD12 HD12 ' A' ' 96' ' ' LEU . 5.4 mt -62.07 -50.82 70.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.303 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -57.31 -47.84 80.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.322 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.99 -48.82 64.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.819 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 27.6 tp -52.88 -53.26 51.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.331 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.462 ' O ' HG13 ' A' ' 77' ' ' VAL . 10.2 tm0? -52.39 -50.37 62.57 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.509 ' O ' HG12 ' A' ' 79' ' ' ILE . 13.0 mt-10 -60.51 -32.52 71.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.247 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -70.02 -44.51 69.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.233 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.513 HG22 ' HA ' ' A' ' 83' ' ' ASN . 0.7 OUTLIER -60.96 -30.37 47.42 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 C-N-CA 120.548 -0.461 . . . . 0.0 109.803 179.72 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.452 ' C ' ' H ' ' A' ' 80' ' ' LYS . 14.1 mt-10 -66.34 -33.98 76.95 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.509 HG12 ' O ' ' A' ' 75' ' ' GLU . 19.0 mm -65.76 -0.05 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.291 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 74.77 111.32 0.07 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.429 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.445 ' HB3' HD23 ' A' ' 82' ' ' LEU . 0.9 OUTLIER 172.12 -36.31 0.0 OUTLIER 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.175 -179.667 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.445 HD23 ' HB3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -147.14 43.79 1.14 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.052 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.513 ' HA ' HG22 ' A' ' 77' ' ' VAL . 3.7 t-20 -64.12 -14.53 55.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.061 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.54 -34.4 35.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.334 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -62.9 -30.19 71.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.59 0.233 . . . . 0.0 110.98 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 35.8 t-105 -76.1 -48.33 21.13 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.743 0.306 . . . . 0.0 110.419 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 37.8 mt-10 -61.35 -19.71 62.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.088 0.47 . . . . 0.0 109.803 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.485 ' HA ' ' HB2' ' A' ' 91' ' ' GLN . 52.5 mt -85.1 -57.82 4.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.595 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.552 HG13 ' HB ' ' A' ' 94' ' ' ILE . 24.3 t -47.2 -33.39 2.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.392 178.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.2 p -87.23 -39.91 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.846 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.485 ' HB2' ' HA ' ' A' ' 88' ' ' ILE . 2.0 mt-30 -46.46 -30.4 2.16 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.329 178.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.74 -44.97 9.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.208 0.528 . . . . 0.0 109.626 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 120.83 34.19 0.93 Allowed Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.429 -0.805 . . . . 0.0 113.367 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.552 ' HB ' HG13 ' A' ' 89' ' ' VAL . 14.8 mt -78.43 144.09 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.0 p -95.01 -167.28 1.6 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.247 0.546 . . . . 0.0 112.26 -178.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.637 ' O ' ' HB ' ' A' ' 97' ' ' ILE . 1.0 OUTLIER -115.68 11.79 15.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.109 -179.332 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.637 ' HB ' ' O ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER 83.3 126.63 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 O-C-N 124.148 0.905 . . . . 0.0 109.934 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.24 157.35 27.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.094 0.473 . . . . 0.0 112.115 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.48 ' N ' ' HB ' ' A' ' 107' ' ' VAL . 10.9 ttmt -34.79 -84.28 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.609 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.594 ' C ' ' H ' ' A' ' 102' ' ' ALA . 33.4 tt0 -59.5 -15.13 15.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.918 -178.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -69.85 21.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 0.0 110.901 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.594 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -136.88 -59.46 0.71 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.761 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.2 -35.88 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.709 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 160.77 46.14 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.241 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.822 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.464 ' O ' ' HA ' ' A' ' 99' ' ' LYS . 69.8 m -121.24 127.55 51.53 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.992 0.425 . . . . 0.0 111.397 -179.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.461 ' HA ' ' HG3' ' A' ' 99' ' ' LYS . 50.3 m -55.87 134.03 51.7 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.04 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.48 ' HB ' ' N ' ' A' ' 99' ' ' LYS . 40.7 t -135.5 117.54 21.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.0 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.471 HG23 ' H ' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -47.91 150.1 1.2 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.667 -178.681 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.26 -12.5 59.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.285 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.471 ' H ' HG23 ' A' ' 108' ' ' THR . 27.6 mt-10 -78.49 -16.6 57.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.204 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -81.53 -48.78 11.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.315 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.531 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.06 -33.58 19.46 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -178.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -85.2 -48.8 8.77 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.11 -40.59 96.4 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.424 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . 17.2 m-85 -69.27 -48.03 62.88 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 70.3 mt -81.04 145.79 30.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.953 0.406 . . . . 0.0 111.165 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -117.56 160.06 39.58 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.686 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -49.91 96.6 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.53 2.154 . . . . 0.0 111.969 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -51.83 -59.95 3.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.116 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.939 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 112.554 -0.218 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.32 158.54 12.1 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.628 2.219 . . . . 0.0 112.331 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.8 t 56.78 83.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -116.94 142.2 29.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.07 -39.15 93.23 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.559 2.173 . . . . 0.0 112.386 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.92 -30.1 66.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.194 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -73.22 -52.35 14.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.436 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -57.06 -29.85 63.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 179.864 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -78.57 -46.82 18.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.575 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -57.88 -34.78 70.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -79.83 -43.28 22.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.112 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 8' ' ' ASN . 0.1 OUTLIER -58.53 -33.07 69.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.956 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.468 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 30.8 m -87.98 -1.86 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.121 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -129.72 38.37 3.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.634 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.26 -47.75 2.74 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.668 0.271 . . . . 0.0 111.265 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.3 -39.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.886 0.374 . . . . 0.0 110.178 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -132.48 -156.2 0.73 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.286 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 20' ' ' PHE . . . 84.18 -54.0 0.13 Allowed 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.54 0.525 . . . . 0.0 110.481 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.1 m 49.26 -81.43 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.277 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.511 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -167.97 30.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.37 -179.052 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -114.38 -77.89 0.58 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.767 0.318 . . . . 0.0 111.083 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -64.38 -41.72 96.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.497 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . . . -68.44 -29.28 67.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.096 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.0 m -70.59 -57.02 5.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.483 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -54.15 -43.01 70.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.44 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -59.5 -47.09 86.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.359 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.25 -47.94 80.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.698 179.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.9 -35.45 68.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -64.69 -45.08 88.15 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.902 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -44.37 90.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.623 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 98.5 mt -57.15 -50.28 77.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.017 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -54.26 -44.62 71.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.638 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -59.15 -46.09 89.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.292 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -55.83 -31.53 62.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.884 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.8 mt -74.55 -18.21 60.62 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.054 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -66.29 -6.48 14.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.757 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.76 113.39 16.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.558 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -78.61 62.61 3.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.284 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.524 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 6.6 mm-40 -119.34 143.76 47.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.718 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.52 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 3.5 m -58.77 -49.79 91.5 Favored Pre-proline 0 CA--C 1.533 0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.71 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.524 ' HD2' ' HB3' ' A' ' 39' ' ' GLU . 25.9 Cg_exo -63.03 -15.01 45.16 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.185 1.923 . . . . 0.0 112.274 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -86.37 -35.62 19.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.003 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -68.32 -26.03 65.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.746 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 60.4 mtt -67.53 -33.17 74.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.427 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -29.5 61.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.674 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -52.0 44.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.183 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.2 mt -58.68 -41.55 82.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.173 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -25.05 67.34 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.185 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.9 m -82.41 -41.25 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.317 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.413 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 1.6 tt -70.71 -25.56 26.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.683 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -79.29 -29.98 42.73 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.83 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.43 -34.55 31.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.139 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -77.46 -50.26 13.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.727 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 2.1 tmt_? -52.27 -45.21 65.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.302 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -64.13 -53.72 45.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.543 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -64.2 -22.01 66.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.5 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.515 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.12 -59.24 2.35 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.196 -179.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.477 HG22 HG13 ' A' ' 97' ' ' ILE . 2.0 pp -56.81 -40.07 68.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.754 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.43 ' HB3' ' CD1' ' A' ' 60' ' ' PHE . 59.5 mttt -51.95 -55.01 22.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.625 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.43 ' CD1' ' HB3' ' A' ' 59' ' ' LYS . 21.8 p90 -178.84 86.21 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 121.247 0.546 . . . . 0.0 110.836 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.515 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -167.73 -100.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.199 179.743 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -130.9 64.17 1.58 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.964 0.412 . . . . 0.0 110.941 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.437 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 0.5 OUTLIER -53.92 -37.04 63.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.291 179.646 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.612 ' HA ' HD22 ' A' ' 67' ' ' ASN . 1.7 tt0 -63.68 -24.24 67.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.866 0.365 . . . . 0.0 111.049 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -73.0 -20.8 60.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.967 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.26 -48.26 7.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.542 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.612 HD22 ' HA ' ' A' ' 64' ' ' GLN . 0.8 OUTLIER -63.11 -18.3 63.27 Favored 'General case' 0 CA--C 1.521 -0.155 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.563 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -77.88 -57.41 3.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.594 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -66.1 -29.06 69.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.283 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 70' ' ' LEU . 7.0 mt -67.41 -51.78 47.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.867 0.365 . . . . 0.0 110.567 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -56.26 -43.86 79.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.989 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.4 -45.5 65.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.3 tp -55.87 -52.72 63.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.901 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -54.69 32.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -58.8 -43.39 90.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.227 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -61.62 -58.42 8.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.337 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.412 ' HA ' ' HB2' ' A' ' 81' ' ' GLN . 1.1 m -64.11 -17.93 21.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.851 0.358 . . . . 0.0 110.916 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.38 -56.65 4.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.219 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.6 mt -75.62 52.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.003 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.41 111.46 0.06 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.376 0.608 . . . . 0.0 111.686 178.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.412 ' HB2' ' HA ' ' A' ' 77' ' ' VAL . 0.1 OUTLIER 174.59 -83.54 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.052 179.333 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.77 72.37 1.33 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.846 0.355 . . . . 0.0 111.311 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -71.06 -14.83 62.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.111 0.481 . . . . 0.0 110.316 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -65.9 -44.79 84.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.054 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -55.63 -30.49 61.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.813 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -80.39 -42.13 23.37 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.707 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 25.1 mt-10 -61.99 -24.84 67.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.209 0.528 . . . . 0.0 109.726 179.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.4 mt -85.53 -57.74 4.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.707 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.614 HG11 ' HB ' ' A' ' 94' ' ' ILE . 3.5 t -46.77 -33.03 1.97 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.35 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.0 p -88.09 -38.87 12.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.73 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 29.6 tt0 -47.02 -30.69 2.79 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.151 178.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.74 -45.29 9.41 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 123.53 16.5 3.41 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.265 -0.88 . . . . 0.0 113.203 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.614 ' HB ' HG11 ' A' ' 89' ' ' VAL . 26.4 mt -54.09 137.68 14.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.843 0.321 . . . . 0.0 110.179 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 31.0 p -99.89 -167.59 1.48 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.224 0.535 . . . . 0.0 112.067 -178.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.566 ' HB2' ' HA ' ' A' ' 112' ' ' ALA . 0.1 OUTLIER -116.17 -176.26 2.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.777 -179.484 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.566 HG21 HD21 ' A' ' 67' ' ' ASN . 1.7 mp -78.39 112.01 15.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 178.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.499 ' HA ' HG13 ' A' ' 107' ' ' VAL . 0.2 OUTLIER -120.54 159.66 24.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.806 0.336 . . . . 0.0 111.748 -179.375 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.54 ' HG3' ' H ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -36.11 -76.96 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.619 179.478 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -63.99 -20.53 65.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.532 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -76.08 -9.43 58.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.773 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -154.3 133.8 12.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.955 0.407 . . . . 0.0 111.73 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.0 m 53.24 -164.15 0.09 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.432 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -76.66 72.85 1.95 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.213 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.482 ' HA ' ' C ' ' A' ' 99' ' ' LYS . 5.5 t 46.79 61.41 2.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.639 0.257 . . . . 0.0 111.394 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.427 ' O ' ' CB ' ' A' ' 107' ' ' VAL . 0.2 OUTLIER -126.94 97.09 4.84 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.54 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 1.0 OUTLIER 151.12 121.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.939 0.895 . . . . 0.0 110.21 178.584 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.3 t -58.85 150.51 23.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.322 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.425 ' HA ' HG21 ' A' ' 98' ' ' THR . . . -78.73 -22.95 45.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.386 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 5.1 mt-10 -42.17 -25.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.634 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -83.49 -48.55 10.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.208 0.527 . . . . 0.0 110.586 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.566 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -71.37 -21.78 61.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.873 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -88.28 -49.36 7.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.978 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -68.2 -29.04 67.8 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.488 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -72.97 -47.2 47.46 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.7 mt -76.18 -30.42 58.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.237 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -92.28 151.87 41.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.063 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.03 174.79 10.75 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.445 2.097 . . . . 0.0 112.28 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 36.6 tttt -111.0 -52.12 2.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.935 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.157 0 CA-C-O 120.191 -0.227 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.49 153.85 27.08 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.583 2.189 . . . . 0.0 112.345 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.1 m -104.14 113.63 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -126.39 140.97 38.59 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.715 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.55 -35.55 81.06 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.452 2.101 . . . . 0.0 112.215 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.67 -23.66 65.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -85.36 -43.43 13.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -59.47 -50.87 72.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.668 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -56.48 -47.0 80.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.737 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -63.92 -29.26 70.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.088 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.7 t -74.34 -42.96 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.439 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.461 ' H ' ' HG ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -72.27 -26.81 62.13 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.322 -179.523 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.408 HG12 HD12 ' A' ' 12' ' ' LEU . 19.0 m -94.74 -3.19 10.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.779 0.323 . . . . 0.0 111.051 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -63.16 -10.82 16.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.761 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.596 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -116.28 -50.16 2.66 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.246 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.596 ' HB3' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER 131.67 6.46 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.565 1.146 . . . . 0.0 109.407 179.59 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -68.02 -35.74 78.79 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.718 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 19' ' ' SER . . . -93.51 -11.7 31.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.502 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.453 ' O ' ' O ' ' A' ' 18' ' ' ALA . 5.2 t 52.08 153.48 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.348 0.594 . . . . 0.0 112.468 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -80.56 48.06 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.655 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -131.06 -66.72 0.73 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.82 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -69.68 -40.99 76.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.673 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.13 -33.03 74.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.99 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 p -73.95 -56.72 4.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.714 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -52.62 -44.8 66.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.905 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -62.04 -43.98 97.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.609 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.96 -46.45 85.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.706 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.1 tp -65.15 -34.32 69.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.811 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -45.16 85.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.939 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -58.81 -44.43 90.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.834 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.0 mt -58.73 -50.03 80.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.201 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -54.05 -45.39 71.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.74 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -58.95 -46.04 89.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.297 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -55.47 -32.38 62.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.733 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mt -79.85 -18.76 49.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.834 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -79.63 -1.34 37.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.18 123.1 31.21 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.684 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -72.43 114.93 11.08 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.677 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -164.28 155.06 15.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.798 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.506 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 5.7 m -81.07 -49.53 1.02 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.691 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.506 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 7.4 Cg_exo -73.19 -1.06 10.01 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.495 2.13 . . . . 0.0 112.437 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -86.24 -47.57 9.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.164 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.402 ' HA ' ' HG ' ' A' ' 46' ' ' SER . 19.9 m-85 -61.65 -34.48 75.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.903 0.382 . . . . 0.0 110.703 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 61.9 mtt -65.32 -32.6 74.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.313 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -77.3 -28.04 53.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.439 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.402 ' HG ' ' HA ' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -66.69 -51.09 60.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.14 179.705 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -60.24 -41.13 85.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.267 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.54 -21.86 65.87 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.857 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.1 m -86.44 -46.66 10.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.166 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.5 tt -64.27 -21.19 28.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 121.049 0.452 . . . . 0.0 110.284 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.25 -54.46 6.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.096 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.13 71.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.575 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.45 ' HB3' ' HZ ' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -72.73 -55.08 7.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.01 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -56.45 -41.81 77.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.196 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 14.4 mt-10 -61.44 -57.49 11.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.482 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.46 -27.8 67.33 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.58 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -87.28 -62.19 1.56 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.0 mm -54.09 -38.0 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.896 -178.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 35.4 mttt -58.51 -42.83 88.55 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.13 -0.228 . . . . 0.0 110.988 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -172.7 78.0 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.929 0.395 . . . . 0.0 111.822 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.58 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -176.8 -106.52 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.577 179.42 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.666 ' HB3' ' HB3' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -103.42 82.87 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.404 . . . . 0.0 111.372 -178.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.12 -49.48 10.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.613 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.574 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 75.1 mt-30 -69.97 -21.1 63.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.794 0.331 . . . . 0.0 111.518 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.666 ' HB3' ' HB3' ' A' ' 62' ' ' GLU . 2.4 ttt180 -74.22 -19.38 60.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.118 0.485 . . . . 0.0 109.949 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.471 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -87.16 -45.91 10.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.221 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.574 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.8 OUTLIER -68.69 -18.58 64.28 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.709 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -75.59 -58.32 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.573 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -64.93 -29.7 70.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.857 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' A' ' 66' ' ' PHE . 5.2 mt -67.84 -47.35 69.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.567 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -56.08 -42.38 76.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.78 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.39 -44.63 58.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.001 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 35.8 tp -56.09 -49.36 74.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.5 ' O ' HG12 ' A' ' 77' ' ' VAL . 4.7 tm0? -53.82 -49.75 67.68 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.71 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.506 ' O ' HG12 ' A' ' 79' ' ' ILE . 33.2 mt-10 -65.15 -28.38 69.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.237 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -71.11 -46.82 60.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.085 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.5 HG12 ' O ' ' A' ' 74' ' ' GLN . 0.2 OUTLIER -59.19 -31.9 47.02 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.532 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -64.98 -32.51 74.26 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.506 HG12 ' O ' ' A' ' 75' ' ' GLU . 14.9 mm -67.99 -0.6 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.342 178.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.18 111.16 0.07 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.72 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 176.31 -43.71 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.825 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.47 47.51 1.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.78 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.422 ' HA ' HG22 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -65.68 -14.44 61.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.871 179.786 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 -37.24 43.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.966 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -65.88 -25.87 67.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 20.9 t-105 -75.79 -52.98 9.21 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.605 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.09 -18.5 60.95 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.189 0.519 . . . . 0.0 110.122 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 44.2 mt -85.38 -60.81 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.166 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.8 t -49.2 -31.61 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.333 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.0 p -78.58 -50.13 19.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.758 0.313 . . . . 0.0 110.492 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.402 ' C ' ' H ' ' A' ' 93' ' ' GLY . 30.2 tt0 -53.47 -35.8 60.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.958 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.99 5.43 2.03 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.341 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.402 ' H ' ' C ' ' A' ' 91' ' ' GLN . . . 75.73 -1.88 56.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.894 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 9.3 mt -70.83 137.81 23.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.751 0.31 . . . . 0.0 110.675 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.402 ' HA ' HD13 ' A' ' 116' ' ' LEU . 5.4 t -130.7 165.93 21.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.026 0.441 . . . . 0.0 111.587 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.419 ' HB2' ' HA ' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -57.94 177.1 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.548 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.3 mp -74.79 124.88 33.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.141 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.77 145.3 30.56 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.535 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.572 ' HG3' ' HA ' ' A' ' 106' ' ' SER . 22.5 tttt -31.05 -86.06 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.912 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.565 ' C ' ' H ' ' A' ' 102' ' ' ALA . 2.0 pt-20 -61.54 -11.68 12.08 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -70.37 21.87 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.712 0.291 . . . . 0.0 111.187 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.565 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -136.28 -59.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.855 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.7 p -178.65 -39.43 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.71 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 164.86 49.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.821 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.9 m -122.58 127.09 48.98 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.034 0.445 . . . . 0.0 111.614 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.572 ' HA ' ' HG3' ' A' ' 99' ' ' LYS . 28.9 p -57.67 137.35 56.54 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.56 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.2 t -138.3 132.35 41.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.278 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.38 149.57 10.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.539 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.61 -12.41 58.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.84 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -84.58 -16.51 41.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.148 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.404 ' HG3' HD13 ' A' ' 96' ' ' LEU . 5.9 tt0 -81.2 -46.6 14.59 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.992 -178.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.419 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.84 -45.68 10.09 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -178.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -78.31 -46.92 18.91 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -177.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.9 tmtp? -65.96 -40.52 91.36 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -62.16 -47.49 84.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.655 0.264 . . . . 0.0 111.467 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 95' ' ' THR . 4.0 mp -100.48 41.5 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.169 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.81 151.93 86.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.006 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.04 -59.05 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.526 2.15 . . . . 0.0 112.363 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -78.37 154.07 31.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.69 152.13 36.07 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.633 2.222 . . . . 0.0 112.313 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.3 t -98.18 116.19 40.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -126.32 143.01 44.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -56.35 -33.14 90.84 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.453 2.102 . . . . 0.0 112.271 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.39 -24.76 60.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -78.4 -48.39 15.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.95 -27.43 68.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.82 -46.71 13.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.688 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.435 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 14.1 mtp180 -61.47 -32.78 72.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.316 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.445 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 27.5 m -78.47 -42.66 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.702 0.287 . . . . 0.0 111.398 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.19 -27.14 69.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.91 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.1 m -95.01 -1.88 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.095 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 11.2 tttt -123.4 42.49 3.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 11.3 mm100 -116.08 -47.56 2.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.899 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.529 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -179.84 -40.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.422 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.529 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 4.3 mptt -156.18 152.94 28.47 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.892 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 179.61 -29.23 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.69 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m 63.81 130.6 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.022 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -77.02 58.67 1.55 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.978 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -133.95 -62.05 0.78 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.731 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -68.7 -43.52 75.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.639 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.95 -31.33 71.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.87 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.8 m -74.2 -57.87 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.514 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -51.54 -42.68 61.96 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.768 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -63.24 -45.33 92.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.38 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.89 -46.26 78.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.451 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.78 -41.94 94.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.673 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -59.67 -43.79 93.84 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.204 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -59.83 -48.57 81.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.925 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 98.3 mt -55.33 -49.45 72.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.185 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -54.78 -45.04 74.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.66 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -58.41 -45.88 87.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.215 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -56.72 -31.21 64.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.789 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.6 mt -77.12 -17.92 58.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.959 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -65.94 -4.97 7.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.75 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.53 116.47 18.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.405 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -77.23 58.78 1.66 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.376 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.49 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 6.6 mm-40 -120.35 136.77 54.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.599 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.515 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 2.4 m -53.65 -49.76 87.11 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.779 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.515 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 32.1 Cg_exo -58.89 -21.16 56.2 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.178 1.918 . . . . 0.0 112.479 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -84.76 -36.71 21.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.147 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -70.13 -24.75 63.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.939 0.399 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 64.4 mtt -68.41 -32.24 72.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.344 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.14 -30.51 62.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.546 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.6 m -64.4 -50.93 65.71 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.096 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.4 mt -59.62 -40.66 82.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.981 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -26.84 68.03 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.136 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -81.34 -40.35 23.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.348 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.2 tt -69.88 -27.25 32.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.752 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -77.24 -31.32 55.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.792 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.64 -37.13 28.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.339 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -72.7 -48.38 39.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.496 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.481 HH21 HD11 ' A' ' 97' ' ' ILE . 9.3 mtp180 -51.5 -47.6 63.19 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.278 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -62.64 -45.56 92.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.436 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.53 -36.4 83.69 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -178.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.581 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.65 -54.06 4.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 111.843 -178.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.497 HG23 ' HA ' ' A' ' 102' ' ' ALA . 64.9 mt -52.21 -46.07 44.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.248 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.477 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 3.8 mttp -50.71 -47.3 59.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.693 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.477 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 21.8 p90 179.77 95.85 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.131 0.491 . . . . 0.0 111.071 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.581 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.6 OUTLIER -179.11 -100.28 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.276 179.596 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -131.69 63.35 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.888 0.375 . . . . 0.0 111.296 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -56.05 -31.38 63.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.042 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.582 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 69.3 mt-30 -72.14 -21.95 61.38 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -72.89 -18.97 61.36 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.05 -43.59 12.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.321 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.582 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.6 OUTLIER -69.64 -18.47 63.59 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.652 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -79.59 -58.42 3.2 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.463 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -58.94 -29.6 67.25 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.652 178.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.551 HD13 ' HG ' ' A' ' 96' ' ' LEU . 11.3 mt -76.38 -41.83 46.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.746 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.415 ' HA ' ' HZ ' ' A' ' 115' ' ' PHE . 30.1 mttt -53.13 -44.72 67.95 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.729 178.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.34 -42.22 62.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.38 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.97 -41.89 47.65 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.181 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.54 -48.34 79.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.327 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -65.97 -23.57 66.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.888 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.639 ' HA ' HD12 ' A' ' 79' ' ' ILE . 12.9 tttm -81.48 -51.76 7.95 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.441 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.84 -28.33 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.037 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' A' ' 80' ' ' LYS . 11.6 mt-10 -61.76 -46.45 89.54 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 76' ' ' LYS . 4.4 mt -57.09 -9.51 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.482 178.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 79.12 116.54 0.06 Allowed 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.073 179.52 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 175.43 -34.6 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.192 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.62 40.34 2.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.721 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -63.91 -14.84 56.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.84 -37.49 55.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.024 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -66.18 -25.67 67.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.997 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -76.5 -56.64 4.44 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.104 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 38.6 mt-10 -62.18 -18.21 60.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.677 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.421 ' HA ' ' HB2' ' A' ' 91' ' ' GLN . 33.2 mt -85.24 -60.4 2.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.31 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.573 HG13 ' HB ' ' A' ' 94' ' ' ILE . 25.1 t -47.5 -31.39 2.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.537 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.3 p -87.53 -40.71 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.809 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.439 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 1.1 mt-30 -46.39 -28.63 1.4 Allowed 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.424 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.59 -44.78 9.32 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 178.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 120.62 35.28 0.86 Allowed Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.386 -0.825 . . . . 0.0 113.179 177.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.573 ' HB ' HG13 ' A' ' 89' ' ' VAL . 5.8 mt -89.17 153.36 3.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.619 0.247 . . . . 0.0 110.356 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.8 p -136.13 174.55 10.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.872 0.367 . . . . 0.0 111.167 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.582 HD22 ' H ' ' A' ' 97' ' ' ILE . 0.1 OUTLIER -76.27 -169.93 1.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.272 0.558 . . . . 0.0 111.161 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.582 ' H ' HD22 ' A' ' 96' ' ' LEU . 1.3 mp -72.0 117.77 15.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.878 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -103.87 152.01 22.44 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.255 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.499 ' HG2' ' H ' ' A' ' 107' ' ' VAL . 30.6 mttm -19.12 -98.33 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.083 -0.962 . . . . 0.0 113.539 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -70.98 -3.21 18.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.675 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -79.43 3.5 18.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.202 0.525 . . . . 0.0 109.674 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.497 ' HA ' HG23 ' A' ' 58' ' ' ILE . . . -128.72 -79.42 0.57 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.442 ' C ' ' H ' ' A' ' 105' ' ' SER . 3.5 t 165.19 -32.73 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.737 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.94 10.79 0.31 Allowed Glycine 0 CA--C 1.519 0.336 0 CA-C-N 115.98 -0.555 . . . . 0.0 114.003 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.442 ' H ' ' C ' ' A' ' 103' ' ' SER . 6.5 m 66.26 -101.15 0.07 Allowed 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 117.411 0.606 . . . . 0.0 111.501 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.5 p -70.48 131.18 43.65 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.412 0.625 . . . . 0.0 112.036 -179.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.499 ' H ' ' HG2' ' A' ' 99' ' ' LYS . 3.2 t -131.75 135.96 57.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.211 178.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.75 146.76 4.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.855 -0.612 . . . . 0.0 112.16 -178.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -84.28 -13.71 51.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.454 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.658 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 27.3 mt-10 -85.19 -18.42 34.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.729 -178.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.457 ' HG3' HD23 ' A' ' 96' ' ' LEU . 9.3 tt0 -82.61 -48.35 11.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.283 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -87.76 -41.15 13.51 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -87.33 -46.53 9.59 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.658 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -64.66 -40.58 95.68 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -177.786 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.415 ' HZ ' ' HA ' ' A' ' 71' ' ' LYS . 12.4 m-85 -59.29 -39.14 82.06 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.6 mp -95.42 15.11 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.42 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -122.44 144.44 42.08 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.156 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -79.56 146.63 19.3 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.572 2.182 . . . . 0.0 112.496 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -90.96 120.52 32.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.62 -16.14 28.91 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.617 2.211 . . . . 0.0 112.335 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.4 p -129.28 144.47 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -115.78 123.28 31.41 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.82 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -60.84 -34.66 91.07 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.588 2.192 . . . . 0.0 112.495 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.31 -30.76 67.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.195 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -81.25 -44.5 17.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.076 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -63.43 -27.61 69.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.976 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -82.41 -45.71 14.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.73 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -62.69 -31.87 72.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.235 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.518 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 14.9 p -78.61 -39.96 23.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.225 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -25.88 66.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.847 0.355 . . . . 0.0 110.631 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.3 m -96.73 -2.88 10.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.558 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -102.84 -47.03 4.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.427 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -83.46 -0.02 48.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.928 -179.645 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -169.44 128.48 0.99 Allowed 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -178.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -83.45 81.15 8.85 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.755 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.12 22.17 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.083 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m 65.13 138.02 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.278 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -79.01 57.86 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.57 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -128.26 -68.33 0.77 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.132 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.65 -46.26 90.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.063 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.84 -42.21 97.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.283 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.428 ' HB2' ' NH1' ' A' ' 65' ' ' ARG . 0.3 OUTLIER -65.36 -53.75 38.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.754 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -52.2 -49.4 63.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -56.1 -47.36 78.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.46 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.71 -49.74 72.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.54 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.34 -43.31 82.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.05 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.66 -45.49 93.93 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.749 0.309 . . . . 0.0 110.281 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -55.64 -47.63 76.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.695 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.5 mt -56.3 -49.63 75.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.229 178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -54.18 -45.38 72.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.746 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -59.61 -47.23 86.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.259 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -54.67 -32.01 58.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.113 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mt -71.3 -18.84 62.39 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.775 0.322 . . . . 0.0 111.239 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.02 -10.85 56.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.825 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.29 109.38 13.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.683 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.414 ' HA ' ' HE2' ' A' ' 43' ' ' PHE . 3.1 t-20 -76.08 62.01 1.62 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.424 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.526 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 5.8 mm-40 -120.77 161.96 20.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.564 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.549 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 21.2 m -72.05 -49.01 10.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.845 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.549 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 26.8 Cg_exo -62.44 -20.93 71.98 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.192 1.928 . . . . 0.0 112.411 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -86.24 -51.33 6.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.05 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.414 ' HE2' ' HA ' ' A' ' 38' ' ' ASN . 5.5 m-85 -63.76 -28.34 69.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.575 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.7 mtt -61.41 -24.7 66.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.121 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.17 -55.43 5.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.162 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.03 -49.55 6.09 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.65 178.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.2 mt -55.23 -49.36 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.068 0.461 . . . . 0.0 110.216 178.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.46 -18.91 65.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.294 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -81.74 -48.05 12.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.078 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.73 -23.23 30.43 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.109 0 CA-C-O 121.185 0.517 . . . . 0.0 109.757 179.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -77.15 -55.0 5.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.33 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.24 -33.03 71.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.251 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.408 ' HB3' ' HE1' ' A' ' 66' ' ' PHE . 2.0 t80 -76.34 -56.02 5.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.837 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 55' ' ' GLU . 4.3 ppt_? -55.16 -31.59 61.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.547 -179.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 22.4 tt0 -72.55 -54.46 9.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.753 0.311 . . . . 0.0 111.194 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.97 -20.84 66.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.482 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -83.95 -60.34 2.14 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.133 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.436 HG13 ' H ' ' A' ' 59' ' ' LYS . 1.4 pp -57.75 -37.27 58.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.893 0.378 . . . . 0.0 110.392 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.463 ' HB3' ' CD1' ' A' ' 60' ' ' PHE . 17.7 mttt -50.78 -55.94 14.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.502 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 59' ' ' LYS . 25.5 p90 178.59 67.11 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.17 0.509 . . . . 0.0 111.309 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.482 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 4.1 m -158.66 -111.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.495 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.416 ' HB3' ' HB3' ' A' ' 65' ' ' ARG . 2.0 mm-40 -104.39 79.63 1.6 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.867 0.365 . . . . 0.0 111.309 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.426 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -80.01 -44.96 19.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.732 179.626 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.583 ' HA ' HD22 ' A' ' 67' ' ' ASN . 61.3 mt-30 -67.79 -24.53 65.33 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.741 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.428 ' NH1' ' HB2' ' A' ' 24' ' ' SER . 1.8 ttt180 -72.92 -20.13 61.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.67 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.408 ' HE1' ' HB3' ' A' ' 53' ' ' PHE . 1.8 t80 -87.13 -44.82 11.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.501 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.583 HD22 ' HA ' ' A' ' 64' ' ' GLN . 0.5 OUTLIER -65.85 -18.39 65.3 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.619 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -79.05 -57.83 3.54 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.5 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -62.03 -33.42 74.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.743 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.481 HD12 HD22 ' A' ' 96' ' ' LEU . 8.6 mt -65.4 -46.1 81.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.163 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -55.97 -46.35 78.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.544 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.99 -43.25 68.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.048 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.2 tp -54.46 -51.41 65.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.464 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.455 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -49.44 -47.61 48.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.448 179.536 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -65.74 -31.79 72.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.222 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -68.8 -43.12 76.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.734 HG23 ' HA ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -68.81 -28.46 39.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.027 0.442 . . . . 0.0 110.129 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -75.77 -16.71 60.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.17 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.0 mt -120.75 -60.63 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 81' ' ' GLN . 24.2 tttt -35.99 -70.88 0.08 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -178.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.43 ' C ' ' H ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER 160.24 -21.88 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.247 0.342 . . . . 0.0 110.886 -178.167 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.507 ' HG ' ' HA ' ' A' ' 77' ' ' VAL . 0.6 OUTLIER -74.71 42.31 0.17 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.989 0.423 . . . . 0.0 111.147 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.734 ' HA ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -62.86 -19.82 64.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.925 179.831 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 -73.78 -25.39 60.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.638 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.41 ' O ' HG21 ' A' ' 88' ' ' ILE . 18.7 t80 -60.95 -44.6 97.06 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.593 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.534 ' HB2' HG22 ' A' ' 77' ' ' VAL . 3.7 t-105 -53.37 -47.21 69.65 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -64.41 -34.02 77.21 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.41 HG21 ' O ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -74.74 -18.4 16.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.477 178.828 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 75.8 t -87.41 -35.25 8.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.06 -178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.1 p -82.63 -36.69 13.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.816 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -58.44 -46.14 87.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.124 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.05 -1.95 6.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.751 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.66 9.07 86.4 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.025 -0.607 . . . . 0.0 113.088 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.2 mm -66.61 129.83 31.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.795 0.297 . . . . 0.0 110.72 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.408 HG21 HD22 ' A' ' 116' ' ' LEU . 49.1 p -121.82 149.53 43.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.495 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.481 HD22 HD12 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -55.18 177.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.277 179.778 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.434 ' O ' HG11 ' A' ' 107' ' ' VAL . 1.5 mp -74.61 121.23 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.617 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.57 142.34 33.08 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.608 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.607 ' HB3' ' H ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -36.46 -85.53 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.51 179.737 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -52.55 -18.27 1.64 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.755 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.71 13.27 2.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 110.483 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.74 21.59 6.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.6 m 60.02 76.36 0.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.993 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 64.35 36.25 92.97 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.266 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.3 113.04 15.75 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 120.943 0.401 . . . . 0.0 110.919 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.409 ' HA ' ' HB3' ' A' ' 99' ' ' LYS . 58.8 m -65.79 145.04 56.46 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.513 0.673 . . . . 0.0 111.033 -179.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.607 ' H ' ' HB3' ' A' ' 99' ' ' LYS . 1.9 t -142.43 142.3 27.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.166 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.416 ' N ' HG12 ' A' ' 107' ' ' VAL . 0.3 OUTLIER -55.74 149.53 14.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.202 -179.087 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.0 -12.96 58.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.248 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -84.56 -16.26 42.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.003 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -79.74 -47.24 15.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.969 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.481 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.86 -48.25 7.96 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 48.5 tttt -70.08 -46.92 63.88 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -66.48 -35.91 81.44 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.0 0.371 . . . . 0.0 112.0 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -69.05 -47.59 64.96 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.408 HD22 HG21 ' A' ' 95' ' ' THR . 0.4 OUTLIER -81.69 14.97 2.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.527 -179.234 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -82.03 143.49 49.55 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.88 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.87 156.81 48.04 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.416 2.077 . . . . 0.0 112.404 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.5 mttt 52.68 76.13 0.21 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.069 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.961 179.944 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.49 -34.29 89.06 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.618 2.212 . . . . 0.0 112.315 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.3 p -78.27 117.95 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.45 HD21 ' HB3' ' A' ' 6' ' ' ALA . 3.4 t30 -132.49 141.55 41.66 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -57.56 -29.41 84.91 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.528 2.152 . . . . 0.0 112.37 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.45 ' HB3' HD21 ' A' ' 4' ' ' ASN . . . -69.45 -28.12 65.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -79.84 -47.38 15.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -65.08 -27.4 68.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -75.32 -51.89 12.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -59.96 -28.43 67.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 80.1 t -83.6 -46.9 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.114 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 tt -56.68 -23.94 45.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.337 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.4 m -94.22 -47.39 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.49 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -86.2 52.07 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.14 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.436 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 1.8 mm-40 -116.26 -48.32 2.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.022 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER 172.91 -34.95 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.734 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.488 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -167.74 143.76 4.03 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.241 -179.57 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 174.71 -25.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.98 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 t 70.33 119.78 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.561 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -56.39 -36.64 69.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.326 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -48.94 -60.35 2.83 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -55.82 -50.75 69.67 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.59 -32.6 73.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.433 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.423 ' HB2' ' HZ ' ' A' ' 53' ' ' PHE . 6.1 p -69.65 -54.0 16.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.437 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -54.36 -46.45 72.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.557 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -58.88 -48.96 79.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.71 -49.3 75.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.96 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.2 tp -60.69 -36.55 71.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.201 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -64.41 -45.86 85.77 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.47 -44.49 89.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.774 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.1 mt -57.34 -50.39 77.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.148 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.14 -44.78 71.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.643 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -59.31 -45.92 89.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.199 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -55.37 -31.55 61.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.725 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mt -76.56 -18.56 58.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.115 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.3 -5.7 11.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.782 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.09 110.76 15.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.555 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -76.99 61.98 2.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.327 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.532 ' HB2' ' HB2' ' A' ' 42' ' ' TYR . 2.6 mt-10 -107.44 170.28 8.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.694 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.476 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 27.0 m -81.19 -49.68 1.0 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.927 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.476 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 93.5 Cg_endo -78.29 -0.51 10.77 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.208 1.939 . . . . 0.0 112.783 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.532 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 1.6 m-85 -85.8 -31.28 22.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.244 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -76.04 -23.45 55.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.897 0.38 . . . . 0.0 110.645 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 57.9 mtt -66.68 -33.53 75.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.389 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -75.89 -29.22 58.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.567 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.38 -51.19 59.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.191 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mt -60.07 -41.26 85.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.365 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.2 -22.98 66.36 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.948 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 m -85.74 -46.58 10.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.194 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.68 -21.18 28.0 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-O 120.993 0.425 . . . . 0.0 110.245 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -77.84 -54.18 6.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.036 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.18 -32.42 73.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.83 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.423 ' HZ ' ' HB2' ' A' ' 24' ' ' SER . 0.2 OUTLIER -73.9 -57.13 4.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.951 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.8 mtp-105 -54.69 -34.53 62.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.995 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -68.59 -56.98 6.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.485 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -64.84 -23.74 67.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.697 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.523 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.68 -61.21 1.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 111.684 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.494 HG12 HG13 ' A' ' 97' ' ' ILE . 57.8 mt -56.53 -40.89 71.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.664 -179.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.473 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 1.0 OUTLIER -53.65 -46.97 70.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.858 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.473 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 18.8 p90 -174.65 89.93 0.06 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.142 0.496 . . . . 0.0 111.244 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.523 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -176.9 -98.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.336 179.66 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -132.62 65.08 1.59 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.024 0.44 . . . . 0.0 110.73 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.73 -32.89 32.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.556 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -78.33 -23.84 46.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.814 0.34 . . . . 0.0 111.221 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 -65.53 -24.69 67.18 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.492 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -89.5 -43.51 10.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.213 179.663 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -66.67 -18.07 65.17 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.628 0.727 . . . . 0.0 109.369 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -77.29 -57.83 3.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.184 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -64.65 -27.35 68.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.583 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.525 HD12 HD22 ' A' ' 96' ' ' LEU . 1.5 mt -69.22 -49.21 58.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.325 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -54.68 -40.51 69.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.657 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.9 -44.27 32.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.407 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.0 tp -57.59 -47.51 81.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -57.04 -54.44 46.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.274 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.95 -33.41 75.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.231 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -66.25 -58.07 6.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.995 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.5 m -65.88 -18.19 23.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.681 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.57 -56.1 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.328 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.3 mt -77.5 56.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.0 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.11 114.14 0.05 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.363 0.601 . . . . 0.0 111.72 178.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 169.56 -85.16 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.678 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.61 73.36 1.34 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -71.98 -15.78 62.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.652 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -65.33 -41.59 93.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -63.22 -24.77 68.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.769 0.318 . . . . 0.0 110.646 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 -78.4 -48.76 14.81 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.539 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -63.35 -19.78 64.93 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.294 0.569 . . . . 0.0 109.816 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 59.9 mt -85.56 -61.21 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.955 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.402 ' O ' ' HB ' ' A' ' 94' ' ' ILE . 40.1 t -48.92 -31.21 3.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.493 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.4 p -78.7 -48.9 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.805 0.336 . . . . 0.0 110.447 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.426 ' C ' ' H ' ' A' ' 93' ' ' GLY . 25.6 tt0 -55.17 -36.34 65.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.742 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.474 ' HB3' HG12 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -67.21 2.98 1.33 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.386 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' ' 91' ' ' GLN . . . 79.14 -1.73 73.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.265 179.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.474 HG12 ' HB3' ' A' ' 92' ' ' ASP . 12.1 mm -61.79 130.64 26.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 117.099 0.45 . . . . 0.0 110.777 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.3 p -119.38 145.81 45.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.369 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.525 HD22 HD12 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -48.63 172.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.62 179.578 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.494 HG13 HG12 ' A' ' 58' ' ' ILE . 1.7 mp -65.93 109.98 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.362 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.443 ' HB ' ' HG3' ' A' ' 101' ' ' GLU . 0.2 OUTLIER -91.33 134.82 34.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.54 -179.619 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.558 ' HB2' ' HA ' ' A' ' 105' ' ' SER . 0.0 OUTLIER -46.43 -52.49 12.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.712 179.51 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.413 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 18.8 tt0 -62.94 -26.51 68.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.513 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.443 ' HG3' ' HB ' ' A' ' 98' ' ' THR . 8.3 mt-10 -76.84 -15.95 59.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.402 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.27 14.54 19.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.372 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 49.82 15.19 0.15 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.923 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -132.41 -6.88 2.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.594 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.558 ' HA ' ' HB2' ' A' ' 99' ' ' LYS . 11.2 t 54.12 47.43 23.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.769 0.319 . . . . 0.0 111.043 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 t -123.3 89.71 3.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.519 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.412 ' N ' ' HB3' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -173.09 148.64 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.377 179.372 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.9 153.41 20.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.089 0.471 . . . . 0.0 112.072 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.04 -12.82 60.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.753 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.4 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 38.5 mt-10 -81.49 -17.05 49.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.602 -179.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.436 ' HG3' HD11 ' A' ' 96' ' ' LEU . 5.3 tt0 -86.8 -48.71 7.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.535 -179.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.466 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.7 -36.33 17.45 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -178.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -87.07 -47.59 8.79 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 2.6 tmtt? -63.12 -33.49 75.56 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -178.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -71.02 -47.2 60.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.691 0.281 . . . . 0.0 111.567 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.63 19.93 1.52 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.291 -179.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.08 150.82 90.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.901 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.45 159.99 51.1 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.436 2.091 . . . . 0.0 112.309 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -143.01 143.08 31.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 CA-C-O 120.109 -0.273 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -56.97 133.78 60.19 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.557 2.171 . . . . 0.0 112.288 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.0 t -125.36 -63.28 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.019 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -123.16 141.5 36.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.711 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.97 -35.89 97.8 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.492 2.128 . . . . 0.0 112.361 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.01 -38.0 82.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.229 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -69.88 -49.21 54.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.135 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -58.31 -34.77 70.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.981 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -74.1 -46.34 43.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.605 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -58.2 -40.11 80.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.467 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.527 ' HA ' ' HB2' ' A' ' 14' ' ' LYS . 16.3 m -75.49 -42.79 42.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.388 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.429 ' HG ' ' HB3' ' A' ' 17' ' ' LYS . 2.1 tp -56.12 -34.68 66.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.6 m -95.44 -13.34 8.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.277 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.527 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 2.0 tttm -65.06 -37.21 86.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.863 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.58 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 7.0 pt20 -94.5 -50.44 5.21 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.578 -179.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.58 ' HB3' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER 135.67 28.04 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.836 0 O-C-N 124.371 1.045 . . . . 0.0 110.105 179.685 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.429 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -54.39 -81.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.143 -179.252 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.66 -78.16 0.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.341 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 3.0 t 163.26 -69.4 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.487 -179.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 19' ' ' SER . 7.6 t80 176.25 -51.65 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.645 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.43 -59.44 4.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.088 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.88 -50.53 68.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.728 0.299 . . . . 0.0 111.611 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.06 -32.2 73.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.1 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.5 m -68.37 -54.17 19.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.422 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -53.71 -44.75 70.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.401 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -61.47 -47.09 87.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.753 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.63 -46.93 83.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.036 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -34.65 71.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -65.45 -45.64 82.98 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.985 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -58.89 -45.23 90.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.885 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.75 -49.73 79.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.167 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -53.42 -45.53 69.41 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.623 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -59.23 -45.47 91.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.194 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -55.45 -31.18 61.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.494 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 mt -81.96 -20.01 39.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.786 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.61 -1.24 18.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.029 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.55 128.72 27.71 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -77.02 118.04 19.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.541 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -166.44 153.0 9.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.785 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.548 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 4.3 m -81.06 -50.17 0.99 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.659 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.548 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 11.5 Cg_exo -70.95 -8.38 23.48 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.364 2.043 . . . . 0.0 112.35 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -84.32 -43.72 14.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.091 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -63.91 -29.37 70.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.681 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 62.4 mtt -66.21 -32.33 73.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.365 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -76.15 -27.01 56.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.537 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.53 -52.29 33.72 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.918 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.42 ' O ' HG22 ' A' ' 50' ' ' ILE . 12.4 mt -59.6 -41.41 84.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.178 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.31 -24.43 66.42 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.88 179.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.74 -48.48 9.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.495 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 47' ' ' ILE . 11.6 tt -61.42 -23.45 30.55 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.098 0 CA-C-O 120.99 0.424 . . . . 0.0 110.623 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.3 mtm-85 -75.7 -54.64 6.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.055 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.1 -30.39 70.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.666 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -72.67 -57.57 4.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.376 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 55' ' ' GLU . 3.4 ptt180 -59.67 -33.21 71.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.404 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 8.8 mt-10 -66.53 -58.62 4.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.6 -24.32 66.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.074 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.486 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -87.02 -61.52 1.71 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -178.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.483 HD12 HG12 ' A' ' 97' ' ' ILE . 34.9 mm -54.59 -40.98 52.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.27 -179.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 7.8 mmtt -52.75 -47.19 67.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.972 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -173.26 84.1 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.778 0.323 . . . . 0.0 111.643 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.486 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 8.1 t -171.9 -98.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.641 179.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -129.98 66.33 1.48 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.861 0.362 . . . . 0.0 111.049 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -51.71 -35.33 42.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.675 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.581 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 22.0 tt0 -65.72 -19.62 65.97 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.92 0.391 . . . . 0.0 111.185 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -74.78 -21.25 59.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.049 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -86.41 -48.65 8.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.189 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.581 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.7 OUTLIER -63.36 -18.31 63.53 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 178.554 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -77.06 -57.53 3.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.676 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -62.65 -33.74 75.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.162 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.9 mt -65.26 -51.59 59.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.608 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -53.26 -45.48 68.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.578 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.63 -43.49 80.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.611 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 tp -50.66 -42.06 56.19 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.462 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.442 ' HA ' HG13 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -65.06 -49.44 70.07 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.255 179.14 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.74 -27.97 69.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.234 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.665 ' HA ' HD12 ' A' ' 79' ' ' ILE . 35.6 mttt -81.59 -54.15 5.65 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.117 0.484 . . . . 0.0 110.522 -179.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.442 HG13 ' HA ' ' A' ' 74' ' ' GLN . 12.9 p -53.61 -29.71 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.44 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.445 ' C ' ' H ' ' A' ' 80' ' ' LYS . 7.1 mt-10 -62.51 -49.13 76.57 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.665 HD12 ' HA ' ' A' ' 76' ' ' LYS . 4.5 mt -57.39 -7.74 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.64 178.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.445 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 79.75 114.48 0.06 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.22 179.411 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 179.15 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.477 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.37 41.71 3.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.79 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -59.48 -17.07 28.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.844 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.27 -38.09 19.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.057 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -62.72 -27.49 69.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.166 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.456 ' HA ' HG11 ' A' ' 89' ' ' VAL . 48.1 t-105 -80.66 -49.84 10.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.752 0.311 . . . . 0.0 110.802 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -62.02 -22.03 65.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.003 0.43 . . . . 0.0 110.259 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 61.1 mt -86.42 -58.89 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.837 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.532 HG22 ' HB ' ' A' ' 94' ' ' ILE . 5.4 p -48.21 -33.18 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.559 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.482 ' N ' HG13 ' A' ' 89' ' ' VAL . 9.9 p -78.78 -47.11 23.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.859 0.361 . . . . 0.0 110.327 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -54.69 -38.55 67.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.705 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.06 -0.21 5.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.05 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.7 8.02 87.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.975 -0.631 . . . . 0.0 113.208 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.532 ' HB ' HG22 ' A' ' 89' ' ' VAL . 44.9 mt -67.75 130.53 33.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 117.168 0.484 . . . . 0.0 110.73 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.1 p -94.86 -166.03 1.4 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.355 -179.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.534 ' O ' ' HB ' ' A' ' 97' ' ' ILE . 0.4 OUTLIER -109.07 8.58 26.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.96 -179.189 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.534 ' HB ' ' O ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER 82.07 128.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.471 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.482 ' O ' ' HB2' ' A' ' 101' ' ' GLU . 0.2 OUTLIER -110.05 147.47 33.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.561 -179.419 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.507 ' HG3' ' H ' ' A' ' 100' ' ' GLU . 5.9 ptpt -36.97 -67.54 0.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 179.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.507 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 3.5 tt0 -57.22 -14.58 4.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -177.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.482 ' HB2' ' O ' ' A' ' 98' ' ' THR . 3.2 mt-10 -60.74 -3.45 0.73 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.987 0.422 . . . . 0.0 110.696 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.489 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -118.44 -159.79 0.77 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.44 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.8 t -78.64 -0.46 30.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.725 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.93 67.41 0.16 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.08 -0.581 . . . . 0.0 111.844 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.4 m -126.94 125.22 41.17 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 121.132 0.491 . . . . 0.0 111.715 -179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.6 m -56.83 138.01 54.04 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.052 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.438 HG23 ' HA ' ' A' ' 99' ' ' LYS . 23.0 t -141.38 118.5 7.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.866 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.444 HG21 ' H ' ' A' ' 110' ' ' GLU . 1.1 t -47.86 150.51 1.08 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.832 -178.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.12 -11.69 59.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.149 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.444 ' H ' HG21 ' A' ' 108' ' ' THR . 26.4 mt-10 -79.94 -16.65 54.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.965 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -80.98 -51.26 8.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.146 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.522 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -86.84 -40.6 14.76 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -178.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -80.61 -48.51 12.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -33.25 75.43 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.426 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . 16.7 m-85 -75.3 -47.97 25.37 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.86 -35.35 62.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.642 -0.253 . . . . 0.0 111.601 -178.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -96.31 144.56 28.05 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.264 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.13 -160.84 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.547 2.165 . . . . 0.0 112.369 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -125.64 -64.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.946 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.931 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -56.29 -25.02 54.21 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.669 2.246 . . . . 0.0 112.218 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.7 p -98.41 144.47 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.199 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.401 ' HB3' ' HB2' ' A' ' 7' ' ' GLU . 2.9 t-20 -120.88 139.22 28.78 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.637 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.499 ' HB2' ' HG ' ' A' ' 49' ' ' CYS . 32.1 Cg_exo -58.85 -33.68 98.67 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.471 2.114 . . . . 0.0 112.436 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.63 -18.67 37.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.94 0.4 . . . . 0.0 111.26 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 7.9 mt-10 -85.13 -37.15 20.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.096 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.2 -29.3 24.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.494 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.428 ' HA ' HD23 ' A' ' 12' ' ' LEU . 10.1 t80 -76.02 -46.71 27.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.232 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -63.37 -40.38 97.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.676 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.1 p -68.18 -37.32 77.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.33 0.492 . . . . 0.0 112.33 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.433 HD12 ' HB1' ' A' ' 23' ' ' ALA . 0.7 OUTLIER -76.76 -26.19 54.25 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.136 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.0 m -95.01 -9.73 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.662 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -100.47 -24.19 14.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.311 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.481 ' HG3' ' HG2' ' A' ' 16' ' ' LYS . 3.4 pt20 -54.98 -32.91 62.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.924 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.598 ' HG3' ' H ' ' A' ' 17' ' ' LYS . 9.3 pttp -169.54 -58.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.99 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.598 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER 176.6 -23.48 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.177 -179.649 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 37.26 -97.58 0.02 OUTLIER 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.738 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.6 p -172.12 109.52 0.24 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.81 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -74.96 51.95 0.53 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.29 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -136.26 -58.46 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.53 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.35 -40.57 67.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.461 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.433 ' HB1' HD12 ' A' ' 12' ' ' LEU . . . -66.48 -33.64 76.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.883 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.2 m -76.13 -56.61 4.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.416 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -50.9 -44.64 60.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.748 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -63.36 -43.22 98.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.384 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.85 -47.7 79.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.486 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.53 -34.3 66.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.709 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -64.97 -44.22 90.07 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.754 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -60.11 -45.21 93.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.712 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.0 mt -56.69 -50.1 75.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.016 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -54.62 -44.04 72.77 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.579 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -59.24 -45.65 90.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.124 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -55.5 -31.98 62.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.789 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.5 mt -73.74 -18.4 60.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.121 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -66.66 -8.49 27.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.607 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.05 114.18 16.75 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.392 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -76.97 60.6 1.83 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.437 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.494 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 6.1 mm-40 -118.7 141.0 49.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.65 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.524 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 3.1 m -57.89 -49.53 93.16 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.95 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.524 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 32.6 Cg_exo -59.56 -19.37 52.05 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 122.273 1.982 . . . . 0.0 112.495 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -86.17 -38.4 17.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.214 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -67.97 -24.3 65.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.781 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 60.4 mtt -69.73 -30.32 67.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.428 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -76.16 -29.74 57.86 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.662 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.2 m -68.21 -51.64 43.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.259 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mt -58.5 -40.99 80.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.14 178.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -24.27 67.63 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.036 179.175 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.499 ' HG ' ' HB2' ' A' ' 5' ' ' PRO . 3.1 m -80.01 -38.71 31.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.045 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -72.95 -25.24 21.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.569 179.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.27 -30.67 48.66 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.637 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.89 -35.85 31.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.087 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.69 -48.6 30.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.616 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -53.28 -41.9 66.04 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.311 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 6.8 tt0 -67.17 -49.42 64.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.42 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.87 -30.56 71.19 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.511 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -86.09 -57.35 3.06 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.44 ' HA ' ' HB3' ' A' ' 63' ' ' GLU . 62.3 mt -55.19 -43.45 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.269 -179.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 2.2 mmtp -50.43 -50.52 51.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.969 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -175.14 84.73 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 120.797 0.332 . . . . 0.0 111.708 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.511 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 4.0 t -169.71 -97.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.603 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.689 ' HB3' ' HB3' ' A' ' 65' ' ' ARG . 2.5 mm-40 -133.92 64.29 1.61 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.017 0.437 . . . . 0.0 111.05 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.44 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -54.13 -34.39 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.305 179.633 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.589 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 58.4 mt-30 -71.88 -23.13 61.45 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.55 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.689 ' HB3' ' HB3' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -73.17 -17.59 61.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.171 0.51 . . . . 0.0 109.846 179.625 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.515 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -87.93 -45.21 10.44 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.171 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.589 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.7 OUTLIER -70.9 -20.93 62.44 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.085 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -69.48 -58.27 4.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.05 178.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -68.83 -26.18 65.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.95 178.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.515 ' HB2' ' O ' ' A' ' 66' ' ' PHE . 2.6 mt -66.35 -47.57 73.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.432 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -58.56 -40.7 83.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.82 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.46 -45.53 45.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.034 0.445 . . . . 0.0 111.261 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.0 tp -57.7 -51.74 68.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -51.24 -51.07 57.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.343 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -64.01 -44.51 92.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -58.68 -54.64 44.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.272 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.411 HG11 ' HG ' ' A' ' 82' ' ' LEU . 1.1 m -67.48 -27.73 39.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.765 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.14 -51.07 70.8 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.849 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.7 mt -64.1 -82.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.806 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -153.41 108.84 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -177.16 -80.63 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.246 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.411 ' HG ' HG11 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -142.4 71.55 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.945 179.511 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -70.95 -25.14 62.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.574 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.93 -39.72 95.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.712 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -63.56 -24.61 67.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.556 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 48.9 t-105 -79.01 -50.79 10.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.674 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -63.32 -18.59 63.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.211 0.529 . . . . 0.0 109.967 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 53.3 mt -85.76 -61.94 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.106 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 53.4 t -50.4 -28.99 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.515 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 13.2 p -81.78 -49.9 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.649 0.261 . . . . 0.0 110.623 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.414 ' C ' ' H ' ' A' ' 93' ' ' GLY . 2.7 mm-40 -53.36 -31.55 45.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.57 9.75 1.0 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.379 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 91' ' ' GLN . . . 75.63 -7.34 26.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.868 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 9.3 mt -67.41 138.93 21.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.764 0.316 . . . . 0.0 110.722 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.438 ' HA ' HD13 ' A' ' 116' ' ' LEU . 1.5 t -130.91 164.87 24.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.996 0.427 . . . . 0.0 111.513 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.463 HD23 HD11 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -57.14 176.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.398 -179.777 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.2 mp -71.5 120.76 20.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.703 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.81 146.84 28.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.552 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.473 ' HG3' ' H ' ' A' ' 100' ' ' GLU . 5.0 ptpt -40.66 -79.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.349 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.568 ' C ' ' H ' ' A' ' 102' ' ' ALA . 12.5 tt0 -56.68 -21.51 28.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.156 -178.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.51 3.81 0.07 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.729 0.3 . . . . 0.0 111.351 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.568 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -144.64 -49.24 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.395 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 t -178.56 -175.09 0.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.162 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -72.19 56.6 1.5 Allowed Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.32 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.6 m -115.75 128.46 55.88 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 120.805 0.336 . . . . 0.0 110.758 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.8 m -59.33 129.94 44.48 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.425 0.631 . . . . 0.0 111.241 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.3 t -134.03 125.42 48.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.608 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -47.86 148.29 1.68 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.884 -178.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.24 -12.76 56.46 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.123 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.442 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 24.9 mt-10 -84.36 -17.06 40.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.408 -178.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -82.96 -46.7 12.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.16 -179.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.428 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.71 -42.27 12.76 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -178.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.64 -46.9 11.83 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -177.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 6.4 tmtm? -64.0 -39.8 94.92 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -64.25 -47.15 80.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.682 0.277 . . . . 0.0 111.593 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 95' ' ' THR . 3.8 mp -95.4 35.28 1.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.253 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.42 150.92 85.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.019 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.94 153.68 74.73 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.46 2.107 . . . . 0.0 112.359 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -116.02 -67.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 CA-C-O 120.147 -0.252 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.12 -24.79 68.2 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.621 2.214 . . . . 0.0 112.204 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 t -106.84 -46.24 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.211 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 t30 61.49 101.15 0.04 OUTLIER Pre-proline 0 C--N 1.332 -0.185 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.782 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -49.85 -31.97 28.26 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.636 2.224 . . . . 0.0 112.714 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.36 -38.89 85.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.208 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -77.39 -42.49 36.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -62.53 -33.26 74.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.31 -44.16 30.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.591 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.404 HH21 ' HA ' ' A' ' 52' ' ' ALA . 45.6 mtt180 -61.33 -35.18 76.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.441 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.412 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 30.4 m -80.0 -40.22 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.628 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.422 HD21 ' HB1' ' A' ' 18' ' ' ALA . 1.2 tt -63.33 -27.37 69.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 111.041 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.7 m -95.62 -4.46 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.3 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -119.94 44.88 2.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.421 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 10.9 mm100 -116.13 -47.9 2.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.83 0.348 . . . . 0.0 110.783 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.497 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER 176.82 -36.38 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.113 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.497 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 89.2 mttt -156.6 151.93 26.58 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.71 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' HB1' HD21 ' A' ' 12' ' ' LEU . . . 179.13 -28.39 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.824 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 t 63.68 130.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.036 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -79.9 58.72 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.61 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -132.94 -64.73 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.068 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.53 -42.3 78.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.44 -31.34 71.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.52 -58.14 3.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.687 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -51.97 -45.29 64.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.924 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -61.49 -43.73 98.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.577 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.76 -46.45 84.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.678 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.8 mt -62.41 -41.98 93.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.835 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -60.72 -44.73 96.26 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.332 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -57.67 -46.91 83.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.083 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.4 mt -58.46 -48.59 84.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.333 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -53.65 -45.32 70.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.675 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -59.37 -45.37 91.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.206 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -56.61 -28.81 61.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.621 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -81.99 -18.67 42.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.687 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -75.53 -0.2 19.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.006 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.31 126.32 29.47 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.018 0.437 . . . . 0.0 110.781 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -79.69 117.21 20.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.629 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -165.19 158.89 16.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.536 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.525 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 7.7 m -81.18 -49.44 1.01 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.663 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.525 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 5.8 Cg_exo -74.36 -6.44 18.37 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.501 2.134 . . . . 0.0 112.389 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -83.14 -42.57 17.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.148 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -70.4 -33.78 71.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 47.8 mtt -59.87 -33.64 72.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.062 0.458 . . . . 0.0 110.067 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -78.41 -25.98 46.25 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.531 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -66.17 -50.86 62.46 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.748 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.6 mt -59.66 -41.0 83.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.914 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.42 -24.37 66.48 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.947 179.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -84.55 -47.14 10.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.138 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.6 tt -62.35 -23.92 33.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.394 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -54.75 6.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.199 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.404 ' HA ' HH21 ' A' ' 10' ' ' ARG . . . -58.53 -33.03 69.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.917 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.03 -56.6 4.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.361 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.48 HH21 HD11 ' A' ' 97' ' ' ILE . 8.2 mtp-105 -52.01 -35.2 46.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.159 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -70.98 -56.93 5.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.487 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -62.65 -24.2 67.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.951 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.526 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -87.23 -59.55 2.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.848 0.356 . . . . 0.0 111.569 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.446 HG23 ' HB3' ' A' ' 102' ' ' ALA . 72.0 mt -55.72 -43.8 74.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.306 -179.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.421 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 2.2 mmtm -51.28 -46.73 62.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.998 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.421 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 22.4 p90 -177.45 91.42 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.002 0.429 . . . . 0.0 111.299 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.526 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 7.0 t -176.92 -98.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.383 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -132.11 64.89 1.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.017 0.437 . . . . 0.0 110.753 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -52.12 -32.63 36.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.584 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -78.98 -23.75 44.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.857 0.361 . . . . 0.0 111.212 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -64.99 -24.57 67.55 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.454 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -89.84 -42.21 11.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.272 179.726 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -68.0 -18.38 64.7 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.589 0.709 . . . . 0.0 109.122 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -76.71 -57.79 3.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.013 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -63.26 -27.03 69.06 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.298 178.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 66' ' ' PHE . 2.2 mt -68.97 -48.91 61.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.812 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -52.6 -42.56 64.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.05 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.66 -42.43 61.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.622 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 29.1 tp -51.71 -41.49 61.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.34 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.427 ' O ' HG12 ' A' ' 77' ' ' VAL . 3.0 tm0? -62.03 -49.72 74.88 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.339 0.59 . . . . 0.0 110.176 178.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.43 -26.22 68.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.939 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.605 ' HA ' HD12 ' A' ' 79' ' ' ILE . 74.6 tttt -81.5 -53.44 6.28 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.463 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 74' ' ' GLN . 7.2 p -58.72 -27.14 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.257 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' A' ' 80' ' ' LYS . 4.8 mt-10 -61.37 -50.03 74.54 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 76' ' ' LYS . 3.1 mt -56.28 -2.71 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.342 178.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.4 OUTLIER 78.94 118.3 0.06 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.424 0.631 . . . . 0.0 111.349 179.45 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 177.59 -37.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.81 45.06 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.767 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -61.48 -29.24 69.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.519 ' ND1' ' H ' ' A' ' 84' ' ' HIS . 2.2 p-80 -70.89 -35.58 72.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -64.4 -26.13 68.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.874 0.368 . . . . 0.0 110.422 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 32.4 t-105 -77.92 -51.72 9.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.489 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -62.23 -18.87 62.35 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.23 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 40.3 mt -85.45 -60.68 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.06 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 50.0 t -50.24 -32.54 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.294 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 13.9 p -78.41 -49.23 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.712 0.291 . . . . 0.0 110.49 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -52.27 -33.54 42.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.006 178.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.23 4.88 3.21 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.03 6.38 79.02 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.127 -0.559 . . . . 0.0 113.083 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.9 mt -75.79 137.1 23.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.756 0.312 . . . . 0.0 110.874 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.416 ' HA ' HD11 ' A' ' 116' ' ' LEU . 15.2 p -125.42 160.08 30.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.21 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.557 ' HB2' ' HA ' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -52.58 176.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.546 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.48 HD11 HH21 ' A' ' 54' ' ' ARG . 1.3 mp -68.82 116.03 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.641 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.32 144.66 31.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.332 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.553 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 0.9 OUTLIER -53.68 -47.43 70.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.616 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -52.69 -33.13 46.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.901 0.381 . . . . 0.0 110.71 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -78.86 -29.9 44.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.491 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.446 ' HB3' HG23 ' A' ' 58' ' ' ILE . . . -155.77 142.59 18.91 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 102' ' ' ALA . 1.1 t 90.01 -69.68 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.106 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 124.67 84.94 0.61 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.78 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.447 ' N ' ' HB2' ' A' ' 99' ' ' LYS . 1.1 p 65.03 12.9 8.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.657 0.265 . . . . 0.0 111.26 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 75.6 m -110.86 94.99 5.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.283 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.553 ' HB ' ' HB3' ' A' ' 99' ' ' LYS . 1.0 OUTLIER -177.91 146.22 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.883 179.66 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.52 150.28 36.61 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.05 -179.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.24 -12.79 59.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.306 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -84.39 -16.65 42.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.353 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.417 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 4.7 tt0 -82.79 -47.16 12.22 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.141 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.557 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.44 -42.86 12.5 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -178.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -80.48 -47.77 13.8 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.473 ' HZ1' ' HE2' ' A' ' 119' ' ' LYS . 1.8 tmtt? -63.46 -34.18 77.19 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -178.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -69.28 -47.34 64.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.614 0.245 . . . . 0.0 111.543 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.416 HD11 ' HA ' ' A' ' 95' ' ' THR . 1.0 OUTLIER -85.4 10.79 11.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.739 0.304 . . . . 0.0 111.139 -179.784 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.91 155.26 61.3 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.956 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.02 -16.72 50.17 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.502 2.135 . . . . 0.0 112.251 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.473 ' HE2' ' HZ1' ' A' ' 114' ' ' LYS . 9.1 tttm 56.44 -165.82 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.995 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 19.8 t70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.953 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -56.02 -41.53 76.01 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.692 2.262 . . . . 0.0 112.262 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.1 t -104.54 -44.96 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 63.42 107.97 0.03 OUTLIER Pre-proline 0 CA--C 1.53 0.187 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -51.13 -35.26 51.01 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.538 2.159 . . . . 0.0 112.449 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.91 -36.36 83.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.078 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -74.66 -45.87 41.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.002 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -61.39 -32.35 72.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -76.6 -48.45 19.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.66 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -57.24 -36.66 71.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.3 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.8 p -80.14 -40.59 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.285 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tp -58.57 -31.8 68.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.131 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.4 m -94.48 -5.43 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.377 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -118.55 36.91 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.226 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.41 ' HG3' ' HG2' ' A' ' 16' ' ' LYS . 3.5 pt20 -116.2 -38.1 3.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.959 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.709 ' HG3' ' H ' ' A' ' 17' ' ' LYS . 27.1 pttt -162.92 -72.3 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.709 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 6.2 tptp -174.94 75.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.781 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.98 1.31 36.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.233 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.2 m 62.2 134.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.475 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -78.0 63.04 2.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.762 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -141.53 -62.47 0.46 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.964 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -65.0 -46.05 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.79 -27.04 63.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.995 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.2 m -75.48 -59.52 2.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.554 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -54.29 -40.77 68.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.855 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -62.8 -45.97 90.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.635 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.445 HD12 HD11 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -57.16 -44.28 83.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.666 179.645 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.5 mp -65.14 -42.34 94.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.757 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -43.59 98.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.427 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -48.42 81.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.195 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.445 HD11 HD12 ' A' ' 27' ' ' LEU . 62.4 mt -54.05 -45.62 65.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.245 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.28 -27.9 63.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.378 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -67.16 -28.44 68.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.389 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -82.53 -26.5 32.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.083 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.0 -18.38 62.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.488 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -73.77 -2.45 23.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.72 127.93 28.05 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.635 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -79.38 121.13 24.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.61 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -166.09 148.34 7.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.534 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.524 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 3.5 m -76.18 -49.44 3.18 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.616 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.524 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 12.1 Cg_exo -70.85 -5.68 17.43 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.397 2.064 . . . . 0.0 112.279 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -85.84 -41.01 15.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.135 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -62.21 -28.61 69.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.809 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 57.0 mtt -67.62 -32.6 73.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.298 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -73.75 -29.37 62.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.554 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.73 -52.25 27.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.124 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.6 mt -58.87 -42.92 87.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.302 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -61.0 -25.06 66.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.048 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -82.93 -47.57 11.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.36 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.7 tt -61.07 -26.1 38.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.445 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 mmt85 -75.75 -55.03 6.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.206 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.82 -35.65 66.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.916 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.2 -51.71 11.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.928 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.9 mtp-105 -45.93 -43.97 14.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.069 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -70.55 -45.57 65.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.702 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -63.4 -27.54 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.747 0.308 . . . . 0.0 111.36 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.524 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.03 -55.79 3.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.1 -179.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.492 HG13 ' H ' ' A' ' 59' ' ' LYS . 1.7 pp -55.27 -41.86 63.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.477 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.492 ' H ' HG13 ' A' ' 58' ' ' ILE . 30.4 mttp -50.66 -56.57 11.28 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.863 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -177.45 82.61 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.822 0.344 . . . . 0.0 111.489 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.524 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.6 OUTLIER -162.53 -96.0 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.31 179.675 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -134.04 58.34 1.77 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.931 0.396 . . . . 0.0 110.859 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.48 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 5.7 pt-20 -52.84 -42.45 65.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.843 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.518 ' C ' ' OD1' ' A' ' 67' ' ' ASN . 35.0 mt-30 -69.22 -13.84 62.63 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.4 ttt85 -81.94 -58.96 2.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.848 0.356 . . . . 0.0 110.338 178.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -47.96 -46.78 32.7 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.134 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.518 ' OD1' ' C ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -64.72 -53.35 48.65 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.385 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -41.93 -50.93 4.49 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.259 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -71.71 -31.86 67.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.431 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 67' ' ' ASN . 0.4 OUTLIER -60.25 -37.6 80.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.463 179.397 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -68.11 -36.09 79.2 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.142 0.496 . . . . 0.0 109.986 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.15 -41.67 66.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.778 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.3 tp -63.62 -49.43 73.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.72 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.5 -51.76 65.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.22 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -62.28 -46.97 86.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.174 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -56.64 -57.98 10.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.332 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.541 HG12 ' HG ' ' A' ' 82' ' ' LEU . 1.5 m -64.66 -27.36 42.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.819 0.343 . . . . 0.0 110.731 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.5 -51.53 69.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.363 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.6 mt -58.22 -86.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.004 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -149.82 99.11 2.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.021 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.26 -82.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.608 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.541 ' HG ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -137.69 73.53 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.814 179.688 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -72.49 -15.06 61.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.532 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.13 -43.74 66.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.514 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -55.05 -36.04 65.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.484 ' O ' ' HB ' ' A' ' 90' ' ' VAL . 68.1 t-105 -77.85 -43.3 30.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -63.56 -23.06 67.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.293 0.568 . . . . 0.0 109.832 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 55.8 mt -85.61 -62.43 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.31 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.5 m -51.14 -28.85 7.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.777 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.484 ' HB ' ' O ' ' A' ' 86' ' ' TRP . 0.5 OUTLIER -70.11 -51.65 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.709 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.455 ' N ' ' CG1' ' A' ' 90' ' ' VAL . 4.7 mm100 -59.0 -40.16 84.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.309 178.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.58 -5.88 6.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.617 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.03 31.56 28.48 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.706 -0.759 . . . . 0.0 113.411 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 28.2 mm -83.31 118.73 31.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.865 0.364 . . . . 0.0 110.331 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.9 t -101.64 -167.05 1.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.439 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.586 ' HB2' ' HA ' ' A' ' 112' ' ' ALA . 0.7 OUTLIER -110.98 170.11 8.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.313 -179.199 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.439 HG13 HG23 ' A' ' 58' ' ' ILE . 1.6 mp -64.0 103.4 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.382 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.496 ' HA ' HG12 ' A' ' 107' ' ' VAL . 1.4 m -101.09 144.83 29.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.468 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.563 ' HB2' ' N ' ' A' ' 105' ' ' SER . 0.0 OUTLIER -43.32 -65.6 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.844 179.636 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.43 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 0.1 OUTLIER -51.56 -27.21 10.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.638 -179.458 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -78.59 -34.47 46.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.642 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -125.34 -75.57 0.59 Allowed 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 33.5 t -109.35 91.58 3.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.861 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' A' ' 106' ' ' SER . . . -33.88 132.52 0.38 Allowed Glycine 0 CA--C 1.52 0.358 0 CA-C-N 115.855 -0.611 . . . . 0.0 114.503 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.563 ' N ' ' HB2' ' A' ' 99' ' ' LYS . 16.2 m 62.09 -17.53 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.512 ' H ' ' C ' ' A' ' 104' ' ' GLY . 0.4 OUTLIER -98.03 88.97 4.38 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.876 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.496 HG12 ' HA ' ' A' ' 98' ' ' THR . 1.3 t 178.31 136.27 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.445 178.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.0 t -74.78 150.6 39.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.173 0.511 . . . . 0.0 112.127 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -77.05 -12.26 59.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.755 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.51 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 4.4 tt0 -83.95 -17.4 40.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.526 -179.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 5.5 tt0 -85.38 -48.6 8.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.308 -179.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.586 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.33 -38.77 15.94 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -178.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -87.19 -46.85 9.37 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.51 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 4.2 tmtt? -64.99 -27.7 69.01 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -73.11 -47.4 44.6 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.93 -20.65 45.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.748 0.309 . . . . 0.0 111.386 -179.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.83 149.94 44.69 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.096 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -73.68 -171.25 0.81 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.508 2.138 . . . . 0.0 112.342 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -112.18 -56.05 2.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.944 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 CA-C-O 120.14 -0.255 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -55.98 160.28 10.52 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.631 2.221 . . . . 0.0 112.301 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.4 t -122.04 139.25 49.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.067 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.507 HD21 ' H ' ' A' ' 6' ' ' ALA . 1.1 t30 -115.44 124.66 29.75 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.452 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 48.8 Cg_exo -56.02 -27.78 66.01 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.455 2.104 . . . . 0.0 112.368 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.507 ' H ' HD21 ' A' ' 4' ' ' ASN . . . -70.34 -33.74 71.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.164 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -73.19 -53.56 10.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.247 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.452 ' OD1' ' HA ' ' A' ' 5' ' ' PRO . 0.6 OUTLIER -61.6 -26.09 67.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.846 -179.735 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -73.86 -51.88 14.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.366 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -57.36 -36.87 71.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.64 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.455 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 77.5 t -72.71 -46.36 54.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.686 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.3 tp -54.56 -31.72 57.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.418 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.1 m -94.18 -1.03 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 0.0 111.228 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -123.97 40.32 3.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.4 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -115.77 -47.16 2.81 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.006 0.431 . . . . 0.0 111.124 179.62 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.18 -75.7 0.2 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.477 -178.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -163.13 90.16 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.174 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -103.6 -9.67 19.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 m 55.49 -92.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.455 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 175.69 50.74 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.72 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -127.66 -70.91 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.19 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -60.24 -46.48 89.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.27 -26.25 63.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.311 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.4 -58.94 2.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.823 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -54.77 -41.79 70.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.722 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -60.04 -48.08 83.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.449 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.463 HD13 HD13 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -57.04 -47.6 80.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.629 179.501 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.59 -33.55 60.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.652 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.59 -44.97 85.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.915 179.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.85 -43.76 97.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.628 179.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.463 HD13 HD13 ' A' ' 27' ' ' LEU . 91.1 mt -56.76 -50.14 75.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.999 179.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -53.98 -44.0 70.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.451 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -59.32 -45.64 90.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.958 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -54.19 -31.9 54.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.335 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mt -79.24 -26.09 42.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.698 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.62 -46.29 84.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.439 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.522 ' O ' ' HB2' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -57.47 -71.38 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.898 179.494 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' A' ' 37' ' ' THR . 33.9 m120 92.44 61.08 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 O-C-N 123.909 0.756 . . . . 0.0 110.878 179.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.483 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 1.6 mm-40 -127.15 179.85 5.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.552 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.558 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 85.9 m -81.18 -48.77 1.05 Allowed Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.558 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 9.0 Cg_exo -72.18 -10.37 25.74 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.388 2.059 . . . . 0.0 112.327 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -86.79 -37.13 18.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.233 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -68.05 -25.06 65.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.934 0.397 . . . . 0.0 110.658 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 64.0 mtt -68.47 -31.51 70.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.142 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.16 -27.57 53.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.536 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 m -65.38 -52.84 50.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.988 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.2 mt -60.6 -39.18 80.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.312 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -26.57 68.06 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.031 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 m -83.89 -47.02 11.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.41 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.8 tt -63.87 -21.49 28.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 121.002 0.43 . . . . 0.0 110.597 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -76.5 -53.61 7.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.876 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.0 -32.1 73.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.932 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.62 -56.44 4.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.987 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 54' ' ' ARG . 38.2 mtt180 -48.85 -43.25 38.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.268 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -66.81 -46.96 73.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.687 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.88 -27.37 68.81 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 111.156 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.543 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -83.41 -57.3 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.534 HG13 ' N ' ' A' ' 59' ' ' LYS . 1.0 OUTLIER -56.07 -38.87 55.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.464 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.534 ' N ' HG13 ' A' ' 58' ' ' ILE . 32.6 mttt -50.5 -56.22 12.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.551 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -178.75 70.29 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.674 0.273 . . . . 0.0 111.42 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.543 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.6 OUTLIER -150.86 -101.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.721 179.819 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.445 ' H ' ' HB3' ' A' ' 61' ' ' SER . 6.0 mm-40 -131.26 64.36 1.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.936 0.398 . . . . 0.0 111.399 -179.058 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -55.03 -35.58 64.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.167 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.599 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 48.5 mt-30 -70.12 -24.87 63.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.98 0.419 . . . . 0.0 111.044 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -71.36 -19.28 62.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.241 0.543 . . . . 0.0 109.558 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.473 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -87.78 -45.61 10.18 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.38 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.599 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.9 OUTLIER -68.68 -18.7 64.31 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.163 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -75.41 -58.15 3.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.262 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -63.55 -29.51 70.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.879 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 66' ' ' PHE . 3.4 mt -70.69 -46.95 62.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.449 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -53.35 -40.98 65.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.503 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.73 -43.09 48.65 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.701 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.3 tp -55.99 -39.08 71.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.355 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.42 ' O ' HG13 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -63.01 -52.14 64.11 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.421 179.289 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -57.33 -28.76 63.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.985 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -81.84 -54.81 5.05 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.631 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 74' ' ' GLN . 8.5 p -57.39 -29.71 33.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.368 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -53.97 52.35 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.5 mt -68.25 -77.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.63 178.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -162.46 119.78 2.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -177.58 -80.05 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.686 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.44 55.43 1.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -58.15 -17.51 19.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.255 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.95 -35.0 22.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -71.01 -24.07 62.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.902 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 36.1 t-105 -72.48 -58.57 3.28 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.495 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 23.1 mt-10 -60.93 -17.84 53.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.056 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.9 mt -80.91 -59.97 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.833 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.582 HG13 ' HB ' ' A' ' 94' ' ' ILE . 52.9 t -47.58 -32.78 2.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.625 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.1 p -87.41 -40.13 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.024 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 0.8 OUTLIER -46.06 -29.06 1.35 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.32 178.372 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.9 -43.96 8.7 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 122.72 12.31 5.06 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.9 178.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.582 ' HB ' HG13 ' A' ' 89' ' ' VAL . 9.9 mt -67.53 150.47 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.692 0.282 . . . . 0.0 110.554 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.432 ' HA ' HD11 ' A' ' 116' ' ' LEU . 21.3 p -126.35 173.62 9.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.565 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.485 HD13 ' HG3' ' A' ' 111' ' ' GLU . 1.5 tt -54.21 -113.87 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.26 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.506 HG23 HG22 ' A' ' 107' ' ' VAL . 1.0 OUTLIER -110.14 -37.56 3.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 O-C-N 122.053 -0.404 . . . . 0.0 110.985 179.689 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.56 125.56 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.045 179.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.628 ' HB2' ' HA ' ' A' ' 105' ' ' SER . 0.0 OUTLIER -47.79 -55.84 8.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.611 179.482 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -53.15 -31.07 40.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.199 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.411 ' HG3' HD12 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -108.27 39.98 1.86 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.997 0.427 . . . . 0.0 110.707 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.44 -102.51 0.42 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.2 p -134.78 -9.55 2.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.806 0.336 . . . . 0.0 110.986 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 160.22 61.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.438 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.628 ' HA ' ' HB2' ' A' ' 99' ' ' LYS . 0.5 OUTLIER 52.47 46.48 26.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.723 0.297 . . . . 0.0 111.232 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.462 ' O ' ' CG2' ' A' ' 107' ' ' VAL . 48.3 m -120.7 90.52 3.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.452 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.506 HG22 HG23 ' A' ' 97' ' ' ILE . 4.1 t -174.63 147.19 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.75 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.7 t -81.94 150.94 27.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.928 0.394 . . . . 0.0 111.658 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.46 -13.72 61.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.76 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.462 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 26.2 mt-10 -84.82 -17.64 37.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.47 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 115' ' ' PHE . 2.5 tt0 -85.64 -44.35 12.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.29 -179.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -87.71 -41.95 12.98 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -87.11 -45.07 11.04 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -177.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.462 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 3.5 tmtp? -66.86 -39.63 87.62 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.49 ' HB2' ' O ' ' A' ' 111' ' ' GLU . 0.1 OUTLIER -55.87 -40.6 73.17 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.391 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.432 HD11 ' HA ' ' A' ' 95' ' ' THR . 5.0 mp -98.26 19.85 13.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.652 0.263 . . . . 0.0 111.431 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -121.8 145.65 43.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.938 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -73.65 -173.19 1.27 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.451 2.1 . . . . 0.0 112.334 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -149.0 129.01 13.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.955 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.843 -179.942 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.416 ' H1 ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.416 ' HD2' ' H1 ' ' A' ' 1' ' ' GLY . 55.7 Cg_endo -70.12 154.46 66.29 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.465 2.11 . . . . 0.0 112.264 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 m -118.54 -36.13 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.437 ' HB3' ' HB2' ' A' ' 7' ' ' GLU . 1.5 t30 65.44 122.24 0.02 OUTLIER Pre-proline 0 CA--C 1.53 0.207 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.2 -37.42 95.49 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.508 2.138 . . . . 0.0 112.476 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.93 -39.74 83.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.273 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.437 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 6.4 tt0 -68.42 -51.28 45.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.136 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -55.71 -37.62 68.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -71.55 -45.09 63.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.575 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -59.53 -40.67 87.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.529 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.504 ' HA ' ' HB2' ' A' ' 14' ' ' LYS . 17.2 m -74.96 -44.39 44.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.501 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -32.95 60.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.771 0.32 . . . . 0.0 111.056 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.1 m -95.11 -10.72 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.99 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.504 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 12.6 tttt -71.76 -30.29 65.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.257 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.465 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 1.9 pt20 -106.73 -51.33 2.95 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 120.601 -0.44 . . . . 0.0 112.138 -179.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.502 ' O ' ' C ' ' A' ' 17' ' ' LYS . 2.7 tppt? 157.33 -19.99 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.533 0.521 . . . . 0.0 109.894 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -18.08 -64.98 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.373 -0.831 . . . . 0.0 112.121 -179.396 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.01 162.4 33.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.515 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.7 m -87.16 171.63 10.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.748 0.308 . . . . 0.0 110.603 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -56.98 -46.3 82.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.252 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -47.99 -64.45 0.79 Allowed 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -53.46 -50.91 64.3 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.712 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.54 -31.33 72.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.119 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.9 m -67.49 -54.07 23.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.206 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -54.02 -44.51 71.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.258 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -60.89 -48.79 80.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.9 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.15 -48.11 79.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.065 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.0 -34.86 68.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.089 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.61 -45.91 81.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.005 0.431 . . . . 0.0 110.175 179.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -59.7 -44.5 93.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.948 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.04 -51.06 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.446 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -54.23 -37.84 65.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.806 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -67.07 -47.06 72.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.346 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -56.45 -28.57 59.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.713 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.96 -48.02 83.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.638 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -48.76 -21.49 0.63 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.112 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.34 101.49 12.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.311 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -77.84 54.38 1.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.362 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 9.3 mm-40 -115.15 138.29 51.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.594 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.511 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 2.5 m -57.26 -49.74 92.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.703 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.511 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 26.7 Cg_exo -62.72 -21.19 72.75 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.218 1.945 . . . . 0.0 112.297 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -83.69 -35.6 24.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -71.16 -22.21 62.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.909 0.385 . . . . 0.0 110.703 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 63.9 mtt -67.66 -30.86 70.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.059 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.24 -28.88 61.45 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.479 179.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.28 -51.81 48.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.892 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.7 mm -59.16 -41.8 84.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.045 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -26.73 67.48 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.152 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.9 m -82.72 -48.49 10.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.341 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.0 tt -59.96 -25.69 33.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.573 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -75.16 -54.9 6.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.179 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.95 -33.21 66.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.818 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -75.51 -55.7 5.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.251 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.4 ttm-85 -51.69 -43.8 62.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.482 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -64.35 -56.13 16.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.67 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.81 -21.09 66.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.68 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.586 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -86.41 -59.97 2.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.784 0.326 . . . . 0.0 111.302 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.466 ' HA ' ' HB3' ' A' ' 63' ' ' GLU . 1.9 pp -56.22 -39.81 61.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.486 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.434 ' H ' HG13 ' A' ' 58' ' ' ILE . 10.7 mmtt -50.64 -55.14 17.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.691 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -176.08 77.18 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 120.769 0.319 . . . . 0.0 111.507 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.586 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 3.2 t -161.39 -99.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.584 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.427 ' H ' ' HB3' ' A' ' 61' ' ' SER . 27.9 mt-10 -131.38 64.33 1.59 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.886 0.374 . . . . 0.0 111.177 -179.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.466 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 4.2 pt-20 -53.3 -36.88 61.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.262 179.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.595 ' HA ' HD22 ' A' ' 67' ' ' ASN . 56.6 mt-30 -65.12 -21.51 66.81 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.136 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -74.06 -19.65 60.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.107 0.48 . . . . 0.0 109.925 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.16 -48.32 7.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.265 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.595 HD22 ' HA ' ' A' ' 64' ' ' GLN . 0.7 OUTLIER -63.27 -18.34 63.47 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.352 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -74.02 -57.41 3.98 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 114.65 -1.159 . . . . 0.0 109.0 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -67.31 -23.67 65.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.886 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.31 -54.17 13.72 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.949 0.404 . . . . 0.0 110.021 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -53.13 -40.9 64.57 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.36 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.36 -43.07 70.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.599 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 tp -52.62 -39.25 61.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.425 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.518 ' HA ' HG13 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -67.76 -50.97 54.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.112 178.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -57.63 -31.37 66.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.325 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.627 ' HA ' HD12 ' A' ' 79' ' ' ILE . 40.9 mttt -81.64 -53.68 6.03 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.982 0.42 . . . . 0.0 110.879 -178.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.518 HG13 ' HA ' ' A' ' 74' ' ' GLN . 7.7 p -50.94 -29.76 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.406 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.435 ' C ' ' H ' ' A' ' 80' ' ' LYS . 23.4 mt-10 -64.32 -49.41 71.86 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 178.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.627 HD12 ' HA ' ' A' ' 76' ' ' LYS . 4.3 mt -59.46 -5.04 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.864 178.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.507 ' HA ' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER 81.79 119.98 0.05 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.497 179.106 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 174.28 -40.65 0.01 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.739 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.14 42.1 3.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.507 HD22 ' HA ' ' A' ' 80' ' ' LYS . 0.6 OUTLIER -58.05 -25.87 61.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.755 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -84.84 -37.81 20.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.781 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -55.83 -44.86 78.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.97 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 25.7 t-105 -59.35 -43.61 92.77 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.51 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -63.59 -37.64 88.1 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 27.1 mt -73.66 -19.24 17.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.08 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.7 t -83.33 -38.56 14.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.353 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.5 p -84.66 -35.0 9.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.622 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.424 ' C ' ' H ' ' A' ' 93' ' ' GLY . 8.8 tt0 -63.94 -50.26 69.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.312 179.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.34 -5.12 1.48 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.825 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.424 ' H ' ' C ' ' A' ' 91' ' ' GLN . . . 83.28 2.78 90.34 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.957 -0.64 . . . . 0.0 113.09 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.6 mt -60.14 121.5 8.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 117.049 0.424 . . . . 0.0 110.671 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.0 p -95.69 -166.49 1.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.521 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.559 ' HB2' ' HA ' ' A' ' 112' ' ' ALA . 0.6 OUTLIER -103.56 170.17 8.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.887 -179.615 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.507 ' O ' HG12 ' A' ' 107' ' ' VAL . 1.7 mp -71.0 106.66 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.484 ' HA ' HG12 ' A' ' 107' ' ' VAL . 0.2 OUTLIER -106.19 145.24 31.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.803 -179.31 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.447 ' HG3' ' H ' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -46.18 -64.97 0.62 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.502 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.447 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -61.23 -29.74 70.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.996 -179.791 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.41 ' HB2' ' HB ' ' A' ' 98' ' ' THR . 4.2 mt-10 -82.58 12.66 4.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.784 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -113.38 -76.65 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.3 t -170.24 -78.09 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.25 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -93.98 34.6 4.58 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.969 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.405 ' HA ' ' HB2' ' A' ' 99' ' ' LYS . 0.3 OUTLIER 47.21 60.29 3.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.822 0.344 . . . . 0.0 111.406 179.893 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.3 m -123.72 88.94 3.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.365 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 97' ' ' ILE . 1.1 t 179.22 154.27 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.175 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.43 149.91 25.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.192 0.52 . . . . 0.0 111.808 -179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.79 -12.3 58.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.646 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -75.23 -19.6 59.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.232 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.451 ' HG3' HD12 ' A' ' 96' ' ' LEU . 4.2 tt0 -79.9 -49.1 12.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.83 0.348 . . . . 0.0 111.303 -179.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.559 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -76.01 -22.34 55.9 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -87.62 -49.83 6.9 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -70.04 -28.84 65.79 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.429 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . 9.6 m-85 -77.58 -47.45 19.38 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.98 37.86 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.939 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -100.97 154.6 37.06 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -68.86 154.99 70.04 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.545 2.164 . . . . 0.0 112.333 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -116.02 -59.77 1.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.145 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -57.08 -26.03 66.72 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.625 2.217 . . . . 0.0 112.251 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 p -100.97 103.51 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -120.6 143.45 36.32 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.692 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.62 -40.7 82.9 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.524 2.149 . . . . 0.0 112.399 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.61 -34.32 76.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.069 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -71.17 -51.95 21.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.932 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -56.55 -33.92 66.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -73.46 -48.52 32.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.517 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -56.33 -39.43 72.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.198 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.5 m -77.9 -42.35 28.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.031 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mt -54.43 -33.8 60.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.333 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.9 m -92.93 -1.77 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.775 0.322 . . . . 0.0 111.311 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.39 41.13 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.414 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.417 ' H ' ' HG3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -115.99 -47.21 2.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.011 0.434 . . . . 0.0 111.032 179.706 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -151.67 -77.96 0.12 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.617 -178.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -159.28 83.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.473 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.85 -7.68 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.798 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 t 65.73 -90.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.218 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 t80 178.0 -36.51 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.13 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.29 -61.65 1.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.032 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -54.54 -50.02 68.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.671 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.75 86.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.699 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.9 m -66.45 -53.79 31.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.646 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -51.41 -49.41 61.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.572 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -47.46 84.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.684 179.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.8 -50.66 69.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.045 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.5 mp -58.53 -41.99 83.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.243 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.02 -45.83 93.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.857 0.361 . . . . 0.0 110.379 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -47.26 83.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.978 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.9 mt -56.92 -50.15 76.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.348 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -55.55 -43.02 75.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.676 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -59.82 -46.54 88.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.218 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -55.62 -31.93 62.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.904 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 mt -69.48 -18.2 63.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.882 0.373 . . . . 0.0 111.077 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.13 -9.51 53.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.614 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.42 113.61 16.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.473 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -78.06 58.97 2.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.254 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.45 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 6.9 mm-40 -119.5 140.89 49.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.714 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.511 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 2.8 m -60.54 -49.47 89.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.761 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.511 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 32.7 Cg_exo -58.23 -24.32 66.61 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.155 1.904 . . . . 0.0 112.36 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -86.14 -36.72 19.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.013 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -72.2 -23.72 61.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.747 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 48.3 mtt -67.47 -29.46 68.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.887 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.94 -27.75 54.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.476 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.6 m -65.79 -51.13 61.56 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.82 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.5 mt -60.57 -39.47 81.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.84 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.91 -25.38 66.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.799 178.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.1 m -83.09 -43.34 16.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.955 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.469 HG12 ' HZ ' ' A' ' 66' ' ' PHE . 3.0 tt -65.97 -28.12 42.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.724 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -77.62 -30.81 52.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.724 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.79 -34.09 57.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.936 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -80.37 -49.27 11.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.89 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.463 ' HG2' HD13 ' A' ' 58' ' ' ILE . 4.0 tmt_? -52.34 -28.86 20.99 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.469 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -84.06 -53.58 5.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.283 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.11 -24.74 67.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.876 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.547 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -87.06 -59.76 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 0.0 111.702 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.463 HD13 ' HG2' ' A' ' 54' ' ' ARG . 1.7 mp -55.43 -42.5 67.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.027 -179.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.423 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 1.1 mttt -50.02 -48.95 52.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.468 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.423 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 22.1 p90 -176.27 88.26 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 121.126 0.488 . . . . 0.0 111.169 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.547 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 6.6 t -174.08 -99.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.622 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -132.34 64.63 1.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.94 0.4 . . . . 0.0 111.238 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.453 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 9.1 pt-20 -53.47 -33.93 56.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.302 179.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.594 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 60.8 mt-30 -69.53 -20.61 63.69 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.923 0.392 . . . . 0.0 111.063 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -74.24 -18.63 60.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.338 0.589 . . . . 0.0 109.506 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.469 ' HZ ' HG12 ' A' ' 50' ' ' ILE . 13.0 t80 -87.2 -46.91 9.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.15 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.594 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.6 OUTLIER -68.4 -18.86 64.55 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.744 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -72.25 -57.63 4.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.867 -1.06 . . . . 0.0 108.998 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -65.53 -28.84 69.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.677 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.55 HD12 HD22 ' A' ' 96' ' ' LEU . 7.9 mt -65.26 -50.83 64.25 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.672 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.6 mttt -54.08 -40.39 67.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.479 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.11 -43.37 57.82 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.108 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.4 tp -58.35 -42.58 87.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.51 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.412 ' O ' HG13 ' A' ' 77' ' ' VAL . 12.4 tm0? -58.69 -51.55 69.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.811 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.91 -25.79 65.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.173 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -82.07 -51.99 7.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.812 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.419 HG23 ' HA ' ' A' ' 83' ' ' ASN . 2.9 p -61.94 -36.74 75.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.829 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.88 -53.19 59.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.907 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.2 mm -61.18 -91.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.744 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -160.94 106.94 1.42 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.744 0.306 . . . . 0.0 110.968 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -169.72 -68.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.063 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.552 ' HB2' ' HB2' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -131.34 56.44 1.8 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.004 -179.696 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.419 ' HA ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -58.2 -30.63 66.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.033 -179.818 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.504 ' ND1' ' H ' ' A' ' 84' ' ' HIS . 1.7 p-80 -71.27 -37.02 71.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.552 ' HB2' ' HB2' ' A' ' 82' ' ' LEU . 6.3 t80 -54.91 -48.36 73.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.995 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.406 ' HB2' HG22 ' A' ' 77' ' ' VAL . 10.9 t-105 -55.83 -47.21 77.62 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.336 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -63.82 -36.59 84.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.922 0.391 . . . . 0.0 110.32 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.0 mt -77.98 -18.2 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.483 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.7 t -84.53 -36.43 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.935 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.2 p -81.23 -38.57 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.226 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.424 ' C ' ' H ' ' A' ' 93' ' ' GLY . 28.5 mt-30 -59.41 -45.77 90.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.557 179.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -3.84 0.79 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.404 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.424 ' H ' ' C ' ' A' ' 91' ' ' GLN . . . 85.73 -28.52 4.88 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.964 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -55.02 134.28 18.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.853 0.326 . . . . 0.0 110.727 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.414 ' HB ' HD11 ' A' ' 116' ' ' LEU . 1.3 p -125.99 168.15 14.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.55 HD22 HD12 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -51.76 169.85 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.246 179.72 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.403 HD12 ' HE ' ' A' ' 54' ' ' ARG . 1.5 mp -71.95 119.3 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.481 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.491 ' HB ' ' HB2' ' A' ' 101' ' ' GLU . 0.2 OUTLIER -104.83 148.19 26.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.977 0.418 . . . . 0.0 112.083 -179.602 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.537 ' HG3' ' H ' ' A' ' 107' ' ' VAL . 22.9 tttt -25.91 -88.29 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.19 -0.914 . . . . 0.0 113.394 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.559 ' C ' ' H ' ' A' ' 102' ' ' ALA . 3.4 pt-20 -67.31 -7.22 22.84 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.491 ' HB2' ' HB ' ' A' ' 98' ' ' THR . 2.7 tp10 -68.3 14.84 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.788 0.328 . . . . 0.0 111.241 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.559 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -128.35 -60.01 1.14 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.82 -45.79 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.706 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 176.72 45.96 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.761 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.4 t -119.68 134.59 55.17 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.201 0.524 . . . . 0.0 111.712 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.476 ' HA ' ' HG3' ' A' ' 99' ' ' LYS . 65.4 m -65.53 139.68 58.49 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.415 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.537 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 5.1 t -143.13 134.47 23.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.39 179.315 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.4 ' N ' HG11 ' A' ' 107' ' ' VAL . 0.2 OUTLIER -56.39 149.96 15.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.524 -178.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 113' ' ' LYS . . . -81.59 -11.97 58.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.948 178.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.455 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 3.2 tt0 -85.08 -16.41 40.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.184 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -84.01 -47.11 11.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.347 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.47 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.9 -41.99 12.82 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -178.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 109' ' ' ALA . 16.6 mttt -85.16 -43.3 13.96 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -177.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 2.0 tmtp? -67.45 -31.77 72.17 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -178.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -75.55 -47.76 25.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.68 0.276 . . . . 0.0 111.731 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.414 HD11 ' HB ' ' A' ' 95' ' ' THR . 1.5 mp -104.72 66.87 0.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 111.094 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.59 152.48 72.7 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.07 -69.03 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.455 2.104 . . . . 0.0 112.297 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -125.82 -26.19 3.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.428 ' H3 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.428 ' HD3' ' H3 ' ' A' ' 1' ' ' GLY . 52.8 Cg_exo -55.51 155.34 21.36 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.647 2.231 . . . . 0.0 112.35 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.2 m -122.44 -38.78 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.227 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.496 ' HA ' ' HZ2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER 62.83 107.05 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.831 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.422 ' HD2' ' HE2' ' A' ' 45' ' ' LYS . 69.0 Cg_exo -51.12 -30.56 32.44 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.466 2.111 . . . . 0.0 112.56 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.477 ' H ' HD21 ' A' ' 4' ' ' ASN . . . -66.41 -37.8 86.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.984 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -76.04 -46.29 30.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.927 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -60.98 -30.34 70.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -76.69 -48.3 19.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.63 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -59.91 -35.16 74.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.243 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.6 m -79.17 -43.53 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.347 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.68 -28.89 64.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.258 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.6 m -94.75 -2.43 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.831 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -118.42 44.19 2.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.701 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -116.2 -48.41 2.72 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.714 0.292 . . . . 0.0 110.88 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 0.2 OUTLIER 172.3 -46.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.019 -179.7 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 16' ' ' LYS . 10.5 mttt -152.23 154.84 36.56 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.822 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 169.6 -22.62 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.37 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m 70.87 118.14 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.547 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -54.72 -35.62 63.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.074 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -57.83 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.778 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.04 -49.99 70.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.734 0.302 . . . . 0.0 111.481 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.88 -37.62 82.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.293 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.9 p -66.62 -52.59 43.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.555 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -53.85 -48.24 70.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.597 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -59.13 -48.35 81.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.951 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.85 -49.03 76.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.14 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.1 tp -61.83 -36.41 73.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.304 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.67 -45.91 81.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.864 0.364 . . . . 0.0 110.178 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -58.81 -45.45 89.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.958 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.1 mt -57.9 -50.28 78.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.434 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -53.77 -45.47 70.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.718 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -58.78 -46.4 87.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.265 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -55.8 -31.92 63.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.7 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mt -82.11 -19.0 40.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.776 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -75.25 -0.04 18.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.058 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -142.65 134.05 26.33 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.036 0.446 . . . . 0.0 110.615 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -83.52 114.79 21.74 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.63 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -165.08 140.29 5.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.696 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.511 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 2.4 m -69.07 -49.76 23.74 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.606 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.511 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 17.3 Cg_exo -67.01 -13.89 41.6 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.364 2.043 . . . . 0.0 112.281 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -86.11 -48.27 8.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.005 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -63.83 -37.55 87.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.751 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.9 ttt -53.3 -31.22 42.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.776 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.496 ' HZ2' ' HA ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -74.9 -56.27 4.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.319 179.624 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 49' ' ' CYS . 0.7 OUTLIER -43.86 -49.1 8.38 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.869 178.822 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 70.1 mt -55.87 -52.04 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.892 0.377 . . . . 0.0 110.479 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.08 -18.53 65.38 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.307 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 46' ' ' SER . 1.8 m -78.71 -42.41 28.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.869 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -68.0 -28.01 39.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.226 179.064 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -77.44 -30.18 53.22 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.769 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.76 -36.25 37.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.376 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.78 -47.13 19.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.453 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -46.58 -46.09 19.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.713 179.219 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -68.34 -44.87 74.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.529 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.85 -28.35 69.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.46 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.556 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.23 -55.63 3.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.207 -179.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.563 HG13 ' H ' ' A' ' 59' ' ' LYS . 1.1 pt -54.6 -41.55 55.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.507 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.563 ' H ' HG13 ' A' ' 58' ' ' ILE . 48.3 mttt -50.67 -56.29 12.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.727 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -179.68 79.13 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.855 0.359 . . . . 0.0 111.451 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.556 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -159.54 -100.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.358 179.677 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -132.74 63.2 1.64 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.991 0.424 . . . . 0.0 111.111 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -54.13 -35.08 61.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.532 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.543 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 38.2 mt-30 -74.27 -22.71 59.19 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.776 0.322 . . . . 0.0 111.219 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 65' ' ' ARG . 1.5 ttm-85 -71.96 -19.5 61.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.128 0.489 . . . . 0.0 109.937 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.443 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -88.25 -43.22 11.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.516 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.543 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 1.8 p30 -72.23 -21.72 61.35 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -67.14 -58.11 5.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.784 -1.098 . . . . 0.0 108.796 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -67.88 -28.91 67.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.764 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.512 ' HB2' ' HA ' ' A' ' 67' ' ' ASN . 3.6 mt -64.17 -46.99 81.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.491 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -56.43 -37.9 70.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.434 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.37 -43.67 49.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.781 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.5 tp -59.8 -41.42 91.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.575 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.411 ' O ' HG11 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -60.2 -52.14 66.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.855 179.814 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -59.12 -27.42 65.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.106 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -81.28 -54.73 5.24 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.569 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.411 HG11 ' O ' ' A' ' 74' ' ' GLN . 4.8 p -59.87 -30.06 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.911 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.26 -52.09 62.47 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.454 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.9 mt -62.14 -88.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.748 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -160.57 112.01 1.89 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.755 0.312 . . . . 0.0 111.168 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -171.28 -67.6 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.464 HD13 ' HB3' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -132.7 56.56 1.84 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.907 -179.888 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -57.56 -29.03 64.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.292 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -75.23 -35.94 61.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.139 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.464 ' HB3' HD13 ' A' ' 82' ' ' LEU . 25.7 t80 -63.93 -28.85 70.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.136 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 42.5 t-105 -77.59 -51.54 10.49 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.844 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -61.3 -19.18 61.47 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.131 0.491 . . . . 0.0 109.933 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.412 ' O ' ' HG2' ' A' ' 91' ' ' GLN . 34.4 mt -85.07 -60.88 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.388 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.3 m -49.76 -31.59 6.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.48 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.7 p -73.01 -52.93 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.363 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 88' ' ' ILE . 9.5 pt20 -56.94 -37.1 71.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.829 178.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.67 -5.46 1.28 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.688 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 84.95 -21.5 11.44 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.74 -0.743 . . . . 0.0 114.132 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 20.1 pt -64.43 137.39 24.96 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 117.853 0.827 . . . . 0.0 110.631 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.428 ' HA ' HD11 ' A' ' 116' ' ' LEU . 12.8 p -127.68 167.9 15.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.531 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.517 ' HB2' ' HA ' ' A' ' 112' ' ' ALA . 0.3 OUTLIER -50.5 170.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.511 179.713 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.411 HD13 ' HB3' ' A' ' 66' ' ' PHE . 1.2 mp -66.39 114.18 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.017 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.7 142.4 32.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.031 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.614 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -46.59 -42.51 16.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.983 179.876 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.11 -29.83 0.67 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.596 -179.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.405 ' HB3' ' HB ' ' A' ' 58' ' ' ILE . 34.9 mt-10 -92.41 -52.12 4.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.521 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.22 -96.87 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.9 t -120.87 -1.28 9.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.862 0.363 . . . . 0.0 111.026 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.479 ' C ' ' H ' ' A' ' 106' ' ' SER . . . 91.16 121.12 2.48 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.884 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.586 ' N ' ' HB2' ' A' ' 99' ' ' LYS . 3.4 m 66.69 -15.36 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.479 ' H ' ' C ' ' A' ' 104' ' ' GLY . 3.6 m -92.52 91.15 7.46 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.614 ' HB ' ' HB3' ' A' ' 99' ' ' LYS . 1.1 t 172.78 131.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.507 178.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.3 t -65.01 150.71 47.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.341 0.591 . . . . 0.0 112.347 -178.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.36 -11.69 59.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.412 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.529 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 28.4 mt-10 -82.3 -17.19 46.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.367 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -85.37 -50.68 7.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.201 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.517 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.62 -37.28 16.93 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -178.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.22 -46.15 9.99 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -177.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.529 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -66.4 -28.91 68.99 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.352 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -71.42 -47.58 55.02 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.428 HD11 ' HA ' ' A' ' 95' ' ' THR . 1.4 mp -92.2 -18.01 24.06 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -178.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -122.48 106.55 35.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.294 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.56 -18.05 20.22 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.477 2.118 . . . . 0.0 112.27 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -147.53 -58.92 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.421 0.153 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.59 -34.7 84.18 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.513 2.142 . . . . 0.0 112.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.22 -37.05 72.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.205 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.505 ' O ' HG23 ' A' ' 11' ' ' VAL . 25.0 mt-10 -69.71 -47.28 63.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.95 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -61.99 -34.42 76.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.822 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.517 ' O ' HG22 ' A' ' 13' ' ' VAL . 3.4 t80 -70.24 -47.46 61.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.642 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -59.11 -35.48 73.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.054 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 7' ' ' GLU . 76.0 t -76.61 -44.12 34.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.186 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -29.69 67.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.237 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 9' ' ' PHE . 27.8 m -94.16 -4.38 10.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.483 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.57 40.78 3.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -116.06 -47.35 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.983 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 4.8 pttt -175.87 -40.62 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.575 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 94.8 mttt -154.13 157.13 38.45 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.181 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.484 ' C ' ' H ' ' A' ' 20' ' ' PHE . . . -169.49 -31.94 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.178 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m 70.45 -21.75 0.18 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.703 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.484 ' H ' ' C ' ' A' ' 18' ' ' ALA . 6.9 t80 67.55 55.75 0.62 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.105 0.479 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -141.39 -57.78 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.72 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.14 -43.19 74.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.62 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.77 -31.02 70.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.951 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.4 m -77.31 -57.89 3.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.577 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.408 ' O ' HG22 ' A' ' 28' ' ' ILE . 7.5 m-80 -51.28 -44.16 61.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.757 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -63.34 -42.91 98.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.313 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.5 HD13 ' HD2' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -57.33 -47.43 81.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.595 179.462 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.408 HG22 ' O ' ' A' ' 25' ' ' ASN . 1.1 tp -63.66 -34.01 65.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.679 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -65.24 -44.46 88.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.808 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -60.88 -44.35 97.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.775 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.447 HD11 ' HB3' ' A' ' 49' ' ' CYS . 94.5 mt -56.76 -50.85 73.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.092 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.541 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -53.6 -44.46 69.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.698 179.475 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -59.96 -45.64 91.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.308 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -56.42 -32.17 64.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.606 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 32' ' ' GLU . 3.1 mt -82.17 -18.61 42.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.74 -49.62 75.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.75 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -49.82 -61.91 1.86 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.209 179.74 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 37' ' ' THR . 71.2 m-20 92.35 59.99 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.905 0.753 . . . . 0.0 110.788 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.4 ' HB2' ' HD2' ' A' ' 42' ' ' TYR . 33.0 mt-10 -131.7 163.08 28.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.617 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.545 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 24.4 m -68.72 -48.96 30.1 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.904 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.545 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 16.7 Cg_exo -67.52 -9.5 25.58 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.26 1.973 . . . . 0.0 112.389 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.4 ' HD2' ' HB2' ' A' ' 39' ' ' GLU . 2.3 m-85 -86.92 -26.12 24.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -73.81 -23.74 59.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.77 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -35.89 80.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.631 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -71.3 -33.95 70.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.667 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.0 m -66.71 -50.38 63.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.395 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.419 HD11 HG21 ' A' ' 88' ' ' ILE . 14.4 mt -58.37 -43.64 86.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.49 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.7 -25.05 67.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.33 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.447 ' HB3' HD11 ' A' ' 31' ' ' ILE . 5.3 m -80.57 -39.46 27.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.355 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.478 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -72.62 -27.06 24.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.634 179.559 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -77.05 -30.83 55.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.006 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.34 -34.51 31.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.065 0.46 . . . . 0.0 110.604 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.5 ' HD2' HD13 ' A' ' 27' ' ' LEU . 1.7 t80 -78.11 -48.36 16.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.835 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 3.5 tmm_? -51.67 -42.81 62.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.475 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -68.59 -46.45 69.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.75 0.309 . . . . 0.0 111.423 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -64.24 -26.43 68.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.144 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.621 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -84.33 -56.3 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.63 HG22 HG13 ' A' ' 97' ' ' ILE . 1.3 pp -56.1 -41.62 69.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.616 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.484 ' H ' HG13 ' A' ' 58' ' ' ILE . 11.9 mmtt -50.44 -56.32 12.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.721 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -179.2 77.77 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.756 0.313 . . . . 0.0 111.351 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.621 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -158.82 -99.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.449 179.692 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -131.54 64.02 1.6 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.931 0.396 . . . . 0.0 111.11 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -53.01 -36.45 60.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.353 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.547 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 6.1 mm-40 -71.86 -23.84 61.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.879 0.371 . . . . 0.0 111.111 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.3 ttt85 -72.61 -19.44 61.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.272 0.558 . . . . 0.0 109.66 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -87.31 -45.29 10.72 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.561 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.547 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 1.6 p30 -70.46 -18.86 62.99 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -73.47 -58.21 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.042 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -65.29 -28.58 69.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.408 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.44 HD13 ' CD1' ' A' ' 96' ' ' LEU . 9.7 mt -66.73 -47.11 73.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.342 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -56.01 -42.13 75.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.519 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.65 -43.68 54.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.263 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.694 ' O ' HG13 ' A' ' 77' ' ' VAL . 8.0 tp -57.47 -49.38 76.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -55.86 -51.85 66.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.035 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.548 ' O ' HD12 ' A' ' 79' ' ' ILE . 7.0 mt-10 -68.9 -25.12 64.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.318 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -75.27 -53.55 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.247 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.694 HG13 ' O ' ' A' ' 73' ' ' LEU . 2.4 m -63.29 -27.94 44.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.929 0.395 . . . . 0.0 110.554 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.66 -51.17 59.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.256 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.548 HD12 ' O ' ' A' ' 75' ' ' GLU . 3.5 mt -92.89 53.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.261 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.556 ' HD3' HD21 ' A' ' 82' ' ' LEU . 48.7 tttt -155.75 -82.7 0.07 Allowed 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.032 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.414 ' H ' ' HB3' ' A' ' 80' ' ' LYS . 2.8 mt-30 -176.95 -35.94 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.574 0.226 . . . . 0.0 111.38 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.651 HD12 HG12 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -74.08 37.53 0.1 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.679 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.404 ' HA ' HG23 ' A' ' 77' ' ' VAL . 1.0 OUTLIER -64.56 -15.52 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.061 0.458 . . . . 0.0 110.263 179.236 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -66.51 -30.87 71.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.448 ' O ' HG23 ' A' ' 89' ' ' VAL . 25.7 t80 -57.56 -33.43 68.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.534 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.506 ' O ' ' HB ' ' A' ' 90' ' ' VAL . 64.6 t-105 -77.24 -44.83 28.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.353 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -63.0 -21.62 66.28 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.419 HG21 HD11 ' A' ' 47' ' ' ILE . 52.2 mt -85.89 -62.25 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.249 179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 85' ' ' PHE . 60.8 t -50.75 -29.59 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.344 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.506 ' HB ' ' O ' ' A' ' 86' ' ' TRP . 1.2 t -82.05 -50.61 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.579 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.47 ' N ' HG12 ' A' ' 90' ' ' VAL . 9.2 mt-30 -52.8 -29.68 28.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.47 9.1 1.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.309 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 71.94 7.14 65.57 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.961 -0.638 . . . . 0.0 113.007 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.7 mt -81.56 143.1 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.786 0.327 . . . . 0.0 111.192 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.0 t -129.81 167.92 17.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.67 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.546 HD23 ' HG3' ' A' ' 111' ' ' GLU . 0.3 OUTLIER -62.36 -177.6 0.14 Allowed 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.33 0.586 . . . . 0.0 111.421 -179.797 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.769 HG22 HG21 ' A' ' 107' ' ' VAL . 1.7 mp -67.06 111.77 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.112 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.401 HG23 ' CB ' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -96.26 141.22 29.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.36 -179.448 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.454 ' C ' ' HA ' ' A' ' 105' ' ' SER . 0.1 OUTLIER -47.15 -59.87 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.45 179.723 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.434 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 1.7 tm-20 -63.81 -29.92 71.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.216 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.0 -5.32 2.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.01 0.433 . . . . 0.0 110.619 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.86 -164.05 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.522 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.7 t -113.07 79.62 1.26 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.981 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 147.21 1.86 0.54 Allowed Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.465 -0.874 . . . . 0.0 113.082 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.454 ' HA ' ' C ' ' A' ' 99' ' ' LYS . 47.7 m 46.0 64.35 1.5 Allowed 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.909 0.355 . . . . 0.0 111.273 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.647 ' O ' HG23 ' A' ' 107' ' ' VAL . 0.2 OUTLIER -123.87 89.19 3.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.844 -179.717 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.769 HG21 HG22 ' A' ' 97' ' ' ILE . 1.0 OUTLIER -173.99 131.73 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.359 178.86 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.21 153.17 44.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.928 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.474 ' HB1' ' HD2' ' A' ' 113' ' ' LYS . . . -66.82 -13.83 61.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.569 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.604 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 4.0 tt0 -84.07 -17.56 39.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.44 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.546 ' HG3' HD23 ' A' ' 96' ' ' LEU . 8.0 tt0 -84.58 -49.72 8.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.144 -179.243 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.401 ' CB ' HG23 ' A' ' 98' ' ' THR . . . -87.68 -39.02 15.35 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -178.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.474 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 17.3 mttt -86.55 -49.01 7.86 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.87 0.692 . . . . 0.0 112.87 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.604 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 5.9 tmtm? -60.18 -30.94 69.67 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -178.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.509 ' CD2' HD22 ' A' ' 96' ' ' LEU . 1.9 m-85 -74.01 -34.7 64.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.757 0.313 . . . . 0.0 111.186 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 115' ' ' PHE . 3.7 mp -130.27 83.46 2.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.985 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.031 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.3 t30 . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 120.529 0.204 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -84.92 -45.4 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.782 2.321 . . . . 0.0 113.131 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.07 -41.61 86.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.629 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.45 -45.02 66.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.218 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -65.72 -24.66 67.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.93 0.395 . . . . 0.0 110.831 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.683 ' O ' HG22 ' A' ' 13' ' ' VAL . 10.5 t80 -79.63 -52.17 8.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -62.61 -30.94 71.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.386 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 9.9 p -79.44 -43.58 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.231 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.426 ' N ' HG13 ' A' ' 11' ' ' VAL . 2.3 tt -58.84 -27.15 64.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 9' ' ' PHE . 6.4 m -95.53 -7.77 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.33 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -108.65 -5.2 16.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.656 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 13.4 mm100 -116.44 -11.01 11.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.613 0.244 . . . . 0.0 111.472 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.77 120.83 0.18 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -70.11 83.58 0.52 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.892 0.377 . . . . 0.0 110.978 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.52 26.93 2.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.633 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 m 74.97 117.46 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.619 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -59.49 -32.94 70.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.122 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -51.85 -56.31 14.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.896 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -55.78 -49.2 73.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.757 0.313 . . . . 0.0 111.538 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.448 ' HB1' ' CD1' ' A' ' 9' ' ' PHE . . . -61.54 -38.83 88.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.236 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.4 p -64.57 -51.6 61.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.588 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.405 ' O ' HG22 ' A' ' 28' ' ' ILE . 4.7 m-80 -54.41 -46.88 73.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.685 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -59.67 -46.75 88.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.745 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -47.42 82.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.952 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.471 ' HA ' HD12 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -62.61 -35.25 69.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.903 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.78 -45.24 83.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.982 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -59.13 -44.72 92.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.907 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.471 HD12 ' HA ' ' A' ' 28' ' ' ILE . 68.6 mt -57.62 -48.97 82.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.233 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.564 ' HA ' HD12 ' A' ' 35' ' ' LEU . 38.6 mt-10 -55.32 -42.59 73.97 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.432 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -59.92 -44.78 94.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.948 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -56.68 -30.31 63.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.618 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 32' ' ' GLU . 2.3 mt -73.95 -17.91 60.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.872 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -69.3 -6.57 30.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.738 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.98 112.57 16.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.61 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -79.19 58.73 2.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.211 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.402 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 4.4 mm-40 -111.82 165.93 11.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.805 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.495 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 19.3 m -81.05 -50.26 0.99 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.755 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 40' ' ' THR . 61.9 Cg_endo -72.91 -15.06 26.52 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.129 1.886 . . . . 0.0 112.534 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -81.67 -32.23 31.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.425 ' CZ ' HD23 ' A' ' 35' ' ' LEU . 3.6 m-85 -81.33 -25.34 36.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.976 0.417 . . . . 0.0 110.76 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 39.0 mtt -62.56 -32.18 73.11 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.968 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -75.84 -28.21 58.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.304 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 m -62.65 -49.2 76.1 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.513 ' O ' HG22 ' A' ' 50' ' ' ILE . 9.8 mt -60.79 -38.97 80.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.634 178.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.29 -27.11 68.8 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.13 178.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 79.6 m -80.54 -39.67 27.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.26 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 47' ' ' ILE . 3.8 tt -70.23 -27.7 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.664 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -74.83 -32.75 62.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.59 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.56 -35.07 58.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.15 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -78.67 -49.12 13.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.961 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.556 ' O ' ' HB ' ' A' ' 58' ' ' ILE . 1.0 OUTLIER -53.21 -27.48 22.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.276 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -85.52 -55.17 4.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.763 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -65.89 -26.43 67.62 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.579 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.6 -60.46 1.99 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.556 ' HB ' ' O ' ' A' ' 54' ' ' ARG . 1.8 mp -55.48 -41.14 61.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.262 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.482 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 62.5 mttt -51.52 -47.84 63.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.504 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.482 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 17.4 p90 -172.27 86.95 0.08 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.09 0.472 . . . . 0.0 111.273 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.579 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -174.4 -98.08 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.508 179.692 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' A' ' 65' ' ' ARG . 31.0 mt-10 -133.84 65.0 1.59 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.13 -179.092 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.473 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 4.7 pt-20 -53.11 -34.81 58.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.28 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.593 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 37.1 mt-30 -64.71 -19.0 65.51 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.908 0.385 . . . . 0.0 111.155 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.419 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -75.29 -18.33 60.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.911 179.689 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.459 ' CZ ' HG12 ' A' ' 50' ' ' ILE . 6.6 t80 -87.29 -48.47 7.98 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.782 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.593 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.3 OUTLIER -63.88 -18.38 64.12 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 177.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -75.43 -57.5 3.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.251 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -65.01 -29.73 70.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.317 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.536 HD13 HD13 ' A' ' 96' ' ' LEU . 7.6 mt -66.76 -51.18 58.85 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.685 0.279 . . . . 0.0 110.47 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -53.9 -42.19 68.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.952 0.406 . . . . 0.0 110.637 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.82 -44.06 64.55 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.868 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.457 HD11 HD13 ' A' ' 82' ' ' LEU . 10.1 tp -59.94 -36.09 76.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.353 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.529 ' HA ' HG12 ' A' ' 77' ' ' VAL . 3.5 tm0? -64.88 -54.81 25.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.413 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.44 ' O ' HD12 ' A' ' 79' ' ' ILE . 19.1 mt-10 -53.76 -33.09 54.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.504 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -81.51 -57.42 3.48 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.164 0.507 . . . . 0.0 110.627 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.687 HG21 ' HB2' ' A' ' 86' ' ' TRP . 9.6 p -52.14 -31.74 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.421 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -55.86 -53.35 57.83 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.562 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.44 HD12 ' O ' ' A' ' 75' ' ' GLU . 3.7 mt -62.95 -89.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.962 179.123 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.03 172.13 16.22 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.459 ' O ' HD23 ' A' ' 82' ' ' LEU . 1.5 mt-30 66.96 118.28 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.653 HD11 ' HB ' ' A' ' 77' ' ' VAL . 0.2 OUTLIER 80.91 11.15 0.91 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.766 0.826 . . . . 0.0 110.378 179.534 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.442 ' HA ' ' CG2' ' A' ' 77' ' ' VAL . 15.1 t-20 -54.64 -42.43 71.24 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.944 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -62.12 -31.86 72.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.11 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.467 ' HB3' HD12 ' A' ' 82' ' ' LEU . 11.2 t80 -55.93 -39.18 71.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.028 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.687 ' HB2' HG21 ' A' ' 77' ' ' VAL . 53.5 t-105 -76.01 -42.8 46.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.594 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.46 -27.82 67.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.043 0.449 . . . . 0.0 109.929 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 54.8 mt -86.04 -59.85 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.517 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.525 ' HA ' HD12 ' A' ' 94' ' ' ILE . 18.6 t -46.81 -34.92 2.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.498 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 91' ' ' GLN . 1.1 t -76.62 -48.55 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.337 . . . . 0.0 110.153 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.453 ' N ' HG12 ' A' ' 90' ' ' VAL . 45.2 tt0 -55.03 -40.21 69.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.775 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.92 -1.65 3.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.18 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.05 5.58 87.08 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.942 -0.647 . . . . 0.0 113.316 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 89' ' ' VAL . 39.8 mt -60.84 126.7 19.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 117.11 0.455 . . . . 0.0 110.568 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.672 ' HA ' HD11 ' A' ' 116' ' ' LEU . 35.7 p -97.93 -166.48 1.38 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.184 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.569 HD12 ' HG3' ' A' ' 111' ' ' GLU . 0.5 OUTLIER -103.19 170.39 7.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.947 -179.237 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.573 HG22 HG21 ' A' ' 107' ' ' VAL . 1.3 mp -67.76 103.25 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.1 m -99.76 140.2 34.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.054 0.455 . . . . 0.0 111.994 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.551 ' HB3' ' N ' ' A' ' 107' ' ' VAL . 6.4 ptmt -49.13 -54.93 14.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.923 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.422 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 47.1 tt0 -57.39 -29.99 64.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.494 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -109.1 22.16 16.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.143 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.63 -95.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.265 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.6 t -137.27 -18.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.569 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 174.1 57.59 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.194 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.432 ' HA ' ' HB2' ' A' ' 99' ' ' LYS . 4.4 m 51.6 46.29 26.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.808 0.337 . . . . 0.0 111.151 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.43 ' O ' HG23 ' A' ' 107' ' ' VAL . 1.3 m -123.39 89.12 3.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.352 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.573 HG21 HG22 ' A' ' 97' ' ' ILE . 1.2 t 174.41 146.6 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.998 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.39 150.18 27.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.097 0.475 . . . . 0.0 111.675 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.18 -13.12 58.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.308 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 15.1 mt-10 -63.12 -21.91 66.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.895 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.569 ' HG3' HD12 ' A' ' 96' ' ' LEU . 6.1 tt0 -85.32 -51.06 6.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.912 0.387 . . . . 0.0 111.187 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.509 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -67.77 -24.86 65.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.218 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -87.59 -52.1 5.52 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 2.9 tmtp? -64.72 -31.35 72.53 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -178.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.4 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . 15.3 m-85 -78.28 -47.35 18.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.59 0.233 . . . . 0.0 111.556 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.672 HD11 ' HA ' ' A' ' 95' ' ' THR . 1.5 mt -91.27 37.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.927 0.394 . . . . 0.0 110.8 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.0 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.415 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.1 t-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.46 0.171 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 4' ' ' ASN . 20.1 Cg_exo -66.05 -41.68 12.79 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.579 2.186 . . . . 0.0 112.384 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.9 -43.25 75.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.355 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.474 ' O ' HG23 ' A' ' 11' ' ' VAL . 26.7 tt0 -66.06 -46.3 78.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.134 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -63.91 -33.21 75.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.981 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.561 ' O ' HG22 ' A' ' 13' ' ' VAL . 4.8 t80 -70.4 -50.49 38.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -59.45 -37.97 79.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.254 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 7' ' ' GLU . 86.6 t -72.01 -44.63 65.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.384 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.92 -31.18 68.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.377 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 9' ' ' PHE . 24.5 m -94.76 -9.58 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.616 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -90.51 -57.04 2.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.812 0.339 . . . . 0.0 111.387 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -55.32 -27.81 49.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.341 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.64 132.02 0.11 Allowed 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.99 91.8 0.22 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.182 0.515 . . . . 0.0 110.444 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.19 -54.53 39.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.301 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 t -174.07 -29.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.045 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.9 t80 75.82 -56.41 0.59 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.242 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -52.88 -46.37 67.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.324 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -61.43 -48.17 82.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.45 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -64.01 -33.77 76.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.711 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.619 ' O ' HD12 ' A' ' 28' ' ' ILE . 50.2 m -65.84 -53.36 41.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.127 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -51.93 -42.6 62.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.472 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -65.63 -44.56 86.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.302 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.17 -44.05 78.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.772 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.619 HD12 ' O ' ' A' ' 24' ' ' SER . 1.6 mp -65.95 -43.15 92.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.661 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -43.05 93.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.437 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -61.0 -50.15 74.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.211 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.5 mt -57.04 -49.51 79.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.583 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -56.17 -36.04 67.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.763 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -67.31 -47.28 71.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.301 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -59.52 -24.14 63.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.792 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.523 HD21 HD13 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -61.9 -50.23 73.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.709 179.745 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -51.86 -18.61 1.36 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.195 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.44 99.84 11.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.485 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -77.2 45.81 0.47 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.451 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.528 ' HB2' ' HB2' ' A' ' 42' ' ' TYR . 15.4 mm-40 -102.74 146.36 28.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 110.781 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.505 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.2 m -62.62 -50.37 78.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.103 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 40' ' ' THR . 59.9 Cg_endo -71.75 -18.78 28.26 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.108 1.872 . . . . 0.0 112.738 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.528 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 9.0 m-85 -79.01 -41.14 29.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.108 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -65.55 -17.63 64.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 55.1 mtt -74.53 -26.94 60.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.322 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -73.13 -33.73 65.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.875 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -50.99 60.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.054 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.551 ' O ' HG22 ' A' ' 50' ' ' ILE . 13.8 mt -59.19 -41.85 85.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.137 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.98 -26.63 67.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.941 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -81.44 -44.42 17.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.497 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.551 HG22 ' O ' ' A' ' 47' ' ' ILE . 11.6 tt -66.02 -27.62 41.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.775 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -79.0 -31.0 44.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.788 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.13 -37.67 45.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.414 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -75.72 -48.39 22.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.636 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.536 ' O ' HG23 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -49.01 -46.43 44.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.3 179.64 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -66.86 -47.39 72.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.661 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.22 -31.35 71.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.657 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.564 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -83.04 -54.07 5.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.558 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.536 HG23 ' O ' ' A' ' 54' ' ' ARG . 1.7 pp -57.48 -43.51 83.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.984 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.478 ' H ' HG13 ' A' ' 58' ' ' ILE . 55.1 mttt -49.46 -52.27 30.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.533 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.447 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 19.7 p90 -176.44 88.52 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.078 0 CA-C-O 121.14 0.495 . . . . 0.0 111.298 178.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.564 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 3.3 t -173.56 -96.77 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.752 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' A' ' 65' ' ' ARG . 36.1 mt-10 -135.56 64.93 1.56 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.165 -179.156 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.532 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 13.6 pt-20 -53.41 -34.18 56.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.294 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.582 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 55.3 mt-30 -67.47 -18.04 64.92 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.936 0.398 . . . . 0.0 111.009 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 5.8 ttt180 -74.89 -17.64 60.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.332 0.587 . . . . 0.0 109.557 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.423 ' CD2' HD13 ' A' ' 97' ' ' ILE . 15.4 t80 -86.84 -48.85 7.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.636 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.582 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.3 OUTLIER -66.55 -18.84 65.59 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.458 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -72.19 -57.96 3.81 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.123 178.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -68.68 -23.71 64.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.891 178.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.996 HD13 HD13 ' A' ' 96' ' ' LEU . 9.1 mt -67.25 -52.11 44.81 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.501 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -57.63 -42.32 83.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.718 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.51 -45.97 64.57 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.063 0.459 . . . . 0.0 111.245 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.758 ' O ' HG13 ' A' ' 77' ' ' VAL . 12.8 tp -59.77 -58.66 7.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.628 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -48.71 -58.47 4.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.029 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -52.98 -41.3 64.46 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.519 -178.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -66.22 -58.17 5.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.35 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.758 HG13 ' O ' ' A' ' 73' ' ' LEU . 0.9 OUTLIER -63.29 -22.98 32.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.685 -179.437 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -49.72 76.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.126 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.4 mt -69.95 54.13 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 112.964 0.728 . . . . 0.0 112.964 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 80' ' ' LYS . 0.6 OUTLIER 50.61 64.46 1.81 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 177.674 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.517 ' HB3' HD23 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -122.44 -77.27 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.999 178.634 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.523 HD13 HD21 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -136.65 62.43 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.989 0.423 . . . . 0.0 110.867 179.097 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -66.83 -24.08 66.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.232 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -53.14 -52.11 59.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.598 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.547 ' HA ' HD12 ' A' ' 88' ' ' ILE . 21.0 t80 -52.05 -42.66 63.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.555 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.528 ' HH2' HD21 ' A' ' 96' ' ' LEU . 74.6 t-105 -61.46 -40.69 95.44 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.178 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -64.43 -38.81 92.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.073 0.463 . . . . 0.0 109.902 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 85' ' ' PHE . 2.7 mt -77.8 -18.58 13.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.982 179.024 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.644 ' HA ' HD12 ' A' ' 94' ' ' ILE . 2.7 t -81.52 -40.59 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.164 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.1 p -76.98 -36.46 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.339 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -62.49 -48.89 77.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.61 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -10.48 4.88 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.315 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.44 30.22 14.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.949 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 89' ' ' VAL . 15.7 mt -92.54 116.44 33.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.037 0.446 . . . . 0.0 110.69 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.819 HG23 ' H ' ' A' ' 97' ' ' ILE . 11.7 t -92.78 -167.02 1.65 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.556 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.996 HD13 HD13 ' A' ' 70' ' ' LEU . 1.1 mm? -98.83 5.19 47.57 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.578 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.819 ' H ' HG23 ' A' ' 95' ' ' THR . 0.5 OUTLIER 84.72 121.17 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 O-C-N 124.132 0.895 . . . . 0.0 109.742 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.72 150.55 33.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.592 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.523 ' HB2' ' HA ' ' A' ' 105' ' ' SER . 0.0 OUTLIER -43.44 -56.7 3.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.789 179.655 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -62.4 -26.39 68.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.441 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -103.64 16.31 26.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.146 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.87 -94.48 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.274 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.9 -16.24 0.69 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.924 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 175.24 57.6 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.428 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.523 ' HA ' ' HB2' ' A' ' 99' ' ' LYS . 58.1 m 52.93 43.65 31.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.675 0.274 . . . . 0.0 111.363 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.53 ' O ' HG23 ' A' ' 107' ' ' VAL . 1.0 OUTLIER -123.89 89.01 3.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.77 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 106' ' ' SER . 0.9 OUTLIER 170.5 139.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.929 179.112 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.05 150.35 46.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 111.232 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.17 -48.46 12.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.661 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -42.2 -21.89 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.218 179.174 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.438 ' CG ' ' HB3' ' A' ' 96' ' ' LEU . 3.9 tt0 -74.26 -52.53 12.04 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.416 0.627 . . . . 0.0 109.744 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.638 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -78.76 -19.61 51.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.88 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -88.54 -48.56 7.49 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 0.5 OUTLIER -72.53 -20.3 61.37 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -178.054 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.499 ' CG ' ' HG ' ' A' ' 96' ' ' LEU . 4.9 m-85 -83.34 -47.69 11.2 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.577 HD11 ' HA ' ' A' ' 95' ' ' THR . 2.0 mp -82.33 57.65 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 111.147 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.778 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 CA--C 1.53 0.208 0 CA-C-O 120.552 0.215 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.99 -29.53 54.89 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.452 2.102 . . . . 0.0 112.567 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.73 -37.41 84.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.054 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 11' ' ' VAL . 22.0 mt-10 -72.17 -47.87 47.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.805 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -62.38 -29.07 70.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.654 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.43 ' O ' HG22 ' A' ' 13' ' ' VAL . 71.7 t80 -72.55 -52.42 15.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.626 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 10' ' ' ARG . 51.2 mtt180 -57.3 -34.94 69.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.006 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 7' ' ' GLU . 84.1 t -78.03 -45.96 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.004 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 mt -51.87 -32.15 30.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 9' ' ' PHE . 16.5 m -89.25 -40.16 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -82.29 56.0 3.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -116.1 -47.7 2.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.758 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.587 ' HG3' ' H ' ' A' ' 17' ' ' LYS . 22.3 pttt 179.59 -52.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.691 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.587 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 20.0 tttt -176.38 61.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.92 -2.32 57.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.055 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 m 68.64 127.47 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.983 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -62.92 -32.57 73.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.187 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -48.9 -64.91 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -52.3 -51.07 60.67 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.56 -38.85 82.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.565 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.7 m -65.9 -53.01 45.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.595 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -53.54 -49.38 67.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.529 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -56.47 -48.32 77.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -56.41 -49.15 75.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.949 179.756 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.6 mm -59.0 -43.14 88.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.594 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -62.36 -46.21 89.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.73 0.3 . . . . 0.0 110.407 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -47.87 70.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.906 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.9 mt -58.55 -48.87 84.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.58 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.619 ' HA ' HD12 ' A' ' 35' ' ' LEU . 21.2 mt-10 -54.33 -42.37 70.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.759 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -63.25 -49.49 73.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.162 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -53.22 -25.98 16.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.655 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 32' ' ' GLU . 3.4 mt -79.08 -39.18 34.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.698 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -59.36 -42.78 92.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.48 -30.75 67.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 58.96 39.48 23.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.976 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -99.98 127.73 46.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.439 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 1.2 m -54.3 -48.45 94.52 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.844 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.439 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 48.2 Cg_exo -56.28 -65.31 0.11 Allowed 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.154 1.903 . . . . 0.0 112.509 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -45.67 -30.85 1.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.43 ' HB2' ' O ' ' A' ' 40' ' ' THR . 2.0 m-85 -58.08 -38.29 76.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.811 0.339 . . . . 0.0 110.776 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.2 mtt -57.02 -25.65 58.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.509 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.23 -55.15 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.109 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 49' ' ' CYS . 0.7 OUTLIER -43.25 -47.15 6.44 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.621 178.898 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.404 HD13 HG12 ' A' ' 88' ' ' ILE . 34.4 mt -56.84 -50.16 76.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.096 0.474 . . . . 0.0 109.964 178.009 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -63.76 -18.55 64.17 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.024 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 46' ' ' SER . 73.8 m -81.97 -47.17 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.68 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -24.87 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-O 121.159 0.504 . . . . 0.0 110.1 178.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.417 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 5.6 mtt180 -77.84 -52.49 8.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.951 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.97 -33.19 70.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.872 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.414 ' HB3' ' HE1' ' A' ' 66' ' ' PHE . 4.7 t80 -72.69 -53.17 12.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.767 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -58.48 -31.12 67.54 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.759 0.314 . . . . 0.0 110.998 -179.65 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.19 -53.28 17.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.884 0.373 . . . . 0.0 110.606 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.54 -23.93 66.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.584 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.588 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.68 -58.29 2.66 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.714 0.292 . . . . 0.0 111.481 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.406 HD11 HD11 ' A' ' 97' ' ' ILE . 53.6 mt -55.34 -43.15 70.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.73 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.458 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 37.0 mttt -49.78 -53.68 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.482 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.458 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 21.6 p90 -178.59 90.39 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.197 0.522 . . . . 0.0 110.9 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.588 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -172.75 -99.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.302 179.826 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -131.32 64.67 1.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 0.0 111.248 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -53.18 -35.62 60.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.232 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.593 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 21.3 mt-30 -68.49 -22.17 64.56 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.965 0.412 . . . . 0.0 111.114 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' A' ' 65' ' ' ARG . 4.4 ttt180 -73.05 -19.96 61.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.149 0.5 . . . . 0.0 109.837 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 54' ' ' ARG . 1.2 t80 -87.41 -46.03 10.01 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.593 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.5 OUTLIER -65.5 -18.18 65.12 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 178.471 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -77.59 -58.12 3.44 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.638 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -62.95 -33.56 75.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.954 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.558 HD13 HD13 ' A' ' 96' ' ' LEU . 12.2 mt -65.19 -47.81 75.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.117 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -54.39 -44.67 72.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.467 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.06 -44.85 75.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.742 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 tp -51.47 -40.64 59.88 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.383 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.445 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -65.09 -50.28 66.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.148 178.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.508 ' O ' HG12 ' A' ' 79' ' ' ILE . 5.4 mt-10 -62.4 -24.73 67.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.998 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -82.46 -52.33 6.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.925 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.459 HG23 ' HG ' ' A' ' 82' ' ' LEU . 10.9 p -54.13 -31.52 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.51 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' A' ' 80' ' ' LYS . 7.1 mt-10 -64.25 -42.62 96.4 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' ' 75' ' ' GLU . 28.8 mm -59.02 -6.45 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.652 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 76.66 114.72 0.06 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.052 179.787 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 176.85 -40.02 0.01 OUTLIER 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.794 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.459 ' HG ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -128.78 45.75 2.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.298 -179.661 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -59.33 -27.6 66.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.873 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.525 ' O ' HG22 ' A' ' 88' ' ' ILE . 1.3 p80 -79.28 -38.29 35.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.793 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.55 ' O ' HG22 ' A' ' 89' ' ' VAL . 25.0 t80 -61.25 -24.47 66.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.747 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.485 ' O ' ' HB ' ' A' ' 90' ' ' VAL . 56.9 t-105 -86.98 -48.46 8.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.341 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -59.61 -22.17 61.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.454 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.549 HG23 ' N ' ' A' ' 89' ' ' VAL . 2.1 tt -86.73 -57.69 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.009 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.572 ' HA ' HD12 ' A' ' 94' ' ' ILE . 30.3 m -56.95 -36.17 49.56 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-O 120.839 0.352 . . . . 0.0 111.323 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.557 HG12 ' N ' ' A' ' 91' ' ' GLN . 0.9 OUTLIER -68.69 -59.44 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.929 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.557 ' N ' HG12 ' A' ' 90' ' ' VAL . 19.1 mt-30 -52.77 -31.53 38.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.075 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.1 4.44 2.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.403 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.56 1.79 72.56 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.877 -0.678 . . . . 0.0 113.237 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.572 HD12 ' HA ' ' A' ' 89' ' ' VAL . 15.2 mt -67.49 134.39 30.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 117.091 0.446 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 t -129.11 159.82 34.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.013 0.435 . . . . 0.0 111.627 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.674 HD12 ' HG3' ' A' ' 111' ' ' GLU . 0.1 OUTLIER -58.5 176.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.589 -179.824 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.406 HD11 HD11 ' A' ' 58' ' ' ILE . 1.4 mp -72.45 121.59 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.14 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.44 ' HB ' ' HB2' ' A' ' 101' ' ' GLU . 0.1 OUTLIER -101.51 142.42 32.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.142 179.651 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.457 ' HB3' ' N ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -39.27 -85.18 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.65 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.527 ' C ' ' H ' ' A' ' 102' ' ' ALA . 19.2 tt0 -53.14 -20.41 3.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.032 -178.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.44 ' HB2' ' HB ' ' A' ' 98' ' ' THR . 2.9 tt0 -68.17 15.08 0.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.681 0.277 . . . . 0.0 111.213 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.527 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -121.95 -60.13 1.61 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.981 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.95 -40.23 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.642 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 171.82 43.77 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.641 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.69 129.53 53.71 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-O 121.261 0.553 . . . . 0.0 111.509 -179.258 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.3 p -65.84 140.74 58.41 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.443 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.457 ' N ' ' HB3' ' A' ' 99' ' ' LYS . 3.4 t -139.01 138.51 41.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.226 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.93 149.08 15.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.296 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.34 -12.69 57.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.132 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.462 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 2.0 mt-10 -84.29 -16.64 42.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.305 -179.163 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.674 ' HG3' HD12 ' A' ' 96' ' ' LEU . 8.8 tt0 -82.35 -48.36 11.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.968 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.419 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -88.24 -43.48 11.55 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -178.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -80.48 -47.57 14.1 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -177.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.462 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 0.2 OUTLIER -64.26 -34.05 77.22 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -178.296 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -68.29 -47.14 68.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.755 0.312 . . . . 0.0 111.201 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mp -110.3 61.77 0.6 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.097 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.965 179.834 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.422 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.0 t-20 . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 120.408 0.147 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 4' ' ' ASN . 25.6 Cg_exo -63.07 -37.61 51.39 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.614 2.21 . . . . 0.0 112.257 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.51 -31.33 69.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.202 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 11' ' ' VAL . 17.0 mt-10 -72.74 -52.29 15.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.727 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -63.87 -25.35 68.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.575 ' O ' HG22 ' A' ' 13' ' ' VAL . 31.8 t80 -74.79 -54.75 6.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.73 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -55.33 -29.45 58.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.041 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 7' ' ' GLU . 58.9 t -85.26 -46.04 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.041 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 tp -53.8 -33.25 55.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.151 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 9' ' ' PHE . 5.8 m -79.53 -49.77 19.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.815 0.341 . . . . 0.0 110.644 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.407 ' N ' HG23 ' A' ' 13' ' ' VAL . 36.4 mttp -80.34 37.88 0.4 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.18 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.31 -48.86 8.65 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.358 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER 174.06 -38.74 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.566 0.222 . . . . 0.0 111.22 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 5.4 mmtp -129.86 -29.32 2.12 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.41 ' HB3' ' HA ' ' A' ' 13' ' ' VAL . . . -52.92 104.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.953 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 t -85.84 -67.22 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.492 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -179.34 44.85 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.014 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -121.28 -68.33 0.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 111.135 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -66.86 -43.37 83.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.47 -30.31 69.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.452 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.6 m -73.63 -58.03 3.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.809 0.338 . . . . 0.0 110.793 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -52.86 -42.74 65.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.84 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -62.05 -47.99 82.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.733 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.416 ' HA ' HD22 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -56.55 -47.27 79.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.75 179.716 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -33.79 66.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -65.7 -44.82 84.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.155 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -44.79 95.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.914 179.174 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.445 HD11 ' HB3' ' A' ' 49' ' ' CYS . 97.0 mt -57.49 -50.9 75.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.232 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -57.39 -47.87 80.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.934 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -53.72 -48.86 69.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.51 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -54.31 -44.1 71.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.817 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.45 -18.1 57.38 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.97 0.414 . . . . 0.0 110.988 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -77.63 -5.87 51.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.802 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 60.0 p -126.9 118.41 24.52 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.624 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -76.69 126.41 30.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.745 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 42' ' ' TYR . 8.6 mm-40 -162.31 165.11 27.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.68 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.576 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 11.6 m -82.18 -50.62 0.82 Allowed Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.576 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 65.3 Cg_endo -88.9 8.91 3.76 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.501 2.134 . . . . 0.0 113.693 -178.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.404 ' HB3' ' HB2' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -87.11 -35.06 18.89 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.214 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -64.64 -17.74 64.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.935 0.397 . . . . 0.0 110.717 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -77.13 -27.29 53.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.389 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -32.4 60.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.659 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.05 -52.34 43.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.244 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.9 mt -59.38 -40.25 81.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.509 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -62.27 -26.21 68.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.002 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.445 ' HB3' HD11 ' A' ' 31' ' ' ILE . 5.7 m -83.41 -47.77 11.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.323 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.493 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 6.3 tt -63.62 -20.77 27.05 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.084 0 CA-C-O 120.961 0.41 . . . . 0.0 110.614 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -78.65 -53.87 6.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.104 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.89 -31.98 72.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.905 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -72.77 -54.92 7.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -53.89 -39.83 66.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.262 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -64.47 -50.87 65.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.813 0.339 . . . . 0.0 111.256 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.92 -24.05 67.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.34 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.58 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -86.25 -57.79 2.88 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.767 0.318 . . . . 0.0 110.857 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.692 HG22 HG13 ' A' ' 97' ' ' ILE . 1.9 pp -53.89 -40.19 43.43 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.204 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.197 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -49.97 -54.19 21.51 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.516 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -177.28 80.16 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.348 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.58 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 7.6 t -160.79 -99.41 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.759 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -132.67 65.39 1.59 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.009 0.433 . . . . 0.0 111.379 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -52.44 -35.74 52.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.493 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.608 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 48.6 mt-30 -70.53 -18.38 62.94 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.737 0.303 . . . . 0.0 111.109 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -79.21 -20.52 48.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.11 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.51 -47.06 9.04 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.844 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.608 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -66.98 -18.79 65.55 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 178.322 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -69.98 -57.7 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.205 -1.361 . . . . 0.0 108.844 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -70.88 -25.41 62.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.873 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.583 HD13 ' CD1' ' A' ' 96' ' ' LEU . 9.7 mt -67.93 -48.0 67.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.633 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -58.0 -35.5 71.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.875 0.369 . . . . 0.0 110.741 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.45 -42.29 30.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.095 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.738 ' O ' HG13 ' A' ' 77' ' ' VAL . 11.4 tp -62.93 -45.96 90.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.694 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -53.67 55.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.158 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.15 -33.08 74.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.345 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -69.61 -57.35 5.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.329 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.738 HG13 ' O ' ' A' ' 73' ' ' LEU . 1.4 m -66.73 -28.14 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.162 -179.332 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -57.77 -52.57 64.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.94 0.4 . . . . 0.0 109.992 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.1 mm -61.21 -82.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.779 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -152.52 105.13 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.783 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.421 ' HB2' ' HA ' ' A' ' 77' ' ' VAL . 1.7 mt-30 -173.66 -75.97 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.488 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.15 69.67 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.918 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -67.16 -18.56 65.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.631 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -66.17 -39.81 90.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.628 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -60.13 -28.66 68.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.746 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 -78.38 -47.17 18.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.776 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -62.76 -22.27 66.45 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.202 0.525 . . . . 0.0 110.053 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 62.6 mt -85.49 -59.92 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.838 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.422 ' HA ' HD12 ' A' ' 94' ' ' ILE . 11.7 t -47.48 -33.82 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.497 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 91' ' ' GLN . 14.1 p -76.84 -49.21 24.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.769 0.319 . . . . 0.0 110.707 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.501 ' N ' HG13 ' A' ' 90' ' ' VAL . 20.2 tt0 -56.39 -39.37 72.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.994 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.12 -2.26 4.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.454 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.08 46.53 21.71 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.747 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 89' ' ' VAL . 53.6 mt -105.62 131.16 55.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.938 0.399 . . . . 0.0 110.883 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.754 ' HA ' HD11 ' A' ' 116' ' ' LEU . 16.6 p -99.71 -166.79 1.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.709 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.583 ' CD1' HD13 ' A' ' 70' ' ' LEU . 1.1 tp -101.95 -135.5 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.072 -179.357 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.692 HG13 HG22 ' A' ' 58' ' ' ILE . 1.3 mp -117.27 115.22 48.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 120.942 0.401 . . . . 0.0 111.658 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.472 ' HA ' ' HB ' ' A' ' 107' ' ' VAL . 0.2 OUTLIER -103.24 132.91 49.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.983 178.562 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.535 ' CG ' HG23 ' A' ' 107' ' ' VAL . 33.5 mtpt -54.85 -33.33 61.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.699 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -59.0 -25.06 63.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.892 0.377 . . . . 0.0 110.691 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -75.21 -21.39 58.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.326 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 58' ' ' ILE . . . -137.24 -69.36 0.46 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.899 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.468 ' HB2' ' HG2' ' A' ' 99' ' ' LYS . 0.6 OUTLIER -52.64 -90.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.616 -179.398 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.91 -58.18 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.368 -0.92 . . . . 0.0 113.156 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.7 p -66.0 -154.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.827 0.346 . . . . 0.0 111.549 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 107' ' ' VAL . 18.7 t -124.06 89.74 3.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.055 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.535 HG23 ' CG ' ' A' ' 99' ' ' LYS . 1.2 t -24.99 133.11 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.211 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.449 ' HB ' ' HG2' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -47.98 151.35 0.96 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.577 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.662 ' HB1' ' HB2' ' A' ' 113' ' ' LYS . . . -60.87 -31.72 71.17 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.315 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.449 ' HG2' ' HB ' ' A' ' 108' ' ' THR . 0.7 OUTLIER -50.14 -26.18 4.27 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.807 179.801 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.568 ' HG3' HD23 ' A' ' 96' ' ' LEU . 1.4 tt0 -89.8 -59.04 2.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.038 0.447 . . . . 0.0 111.16 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -80.1 -34.26 38.06 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.662 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 29.7 mttt -88.58 -42.89 11.77 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -177.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -66.73 -31.62 72.39 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -178.193 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -75.14 -47.34 28.99 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.754 HD11 ' HA ' ' A' ' 95' ' ' THR . 1.5 mp -79.94 -31.68 40.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.647 0.26 . . . . 0.0 111.395 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.15 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.425 0.155 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -61.0 -34.89 90.0 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.499 2.133 . . . . 0.0 112.256 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.79 -18.37 61.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.045 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -85.09 -56.47 3.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.031 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -63.08 -30.83 71.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.607 ' O ' HG22 ' A' ' 13' ' ' VAL . 11.7 t80 -70.93 -53.72 13.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -54.47 -40.08 68.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.498 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.1 p -77.42 -42.03 30.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.667 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.01 -39.82 72.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.382 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 9' ' ' PHE . 17.2 m -83.03 -6.71 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.266 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -112.73 43.04 1.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -109.34 -47.61 3.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.85 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.544 ' HG3' ' H ' ' A' ' 17' ' ' LYS . 2.5 pttt -178.92 -55.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.771 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.544 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 4.0 mttt -173.62 74.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.833 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.3 -3.5 53.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 m 72.35 122.89 0.04 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.852 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -60.92 -31.47 70.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.245 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -53.0 -55.91 20.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.891 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -55.97 -50.28 71.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.621 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.587 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -62.82 -36.38 82.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.064 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.6 t -63.3 -53.05 58.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.672 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -55.95 -43.89 77.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.87 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.05 -49.23 78.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.073 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -45.82 85.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.3 -32.84 59.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.89 0.376 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -67.53 -45.64 75.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.324 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -61.62 -44.39 97.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.188 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 89.8 mt -58.7 -49.61 82.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.591 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -55.49 -42.88 75.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.679 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -61.61 -47.1 86.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.56 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -56.38 -37.31 69.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.57 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.8 mt -61.46 -45.24 95.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.764 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.02 -0.75 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.425 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.05 119.18 32.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.08 0.466 . . . . 0.0 110.559 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -82.16 107.31 14.76 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.699 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -162.87 131.9 4.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.509 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.46 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 1.5 m -64.12 -50.07 70.54 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.738 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.46 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 16.8 Cg_exo -67.62 -12.59 36.11 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.345 2.03 . . . . 0.0 112.412 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -86.19 -41.97 14.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.131 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.15 -31.08 70.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.919 0.39 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -31.98 73.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.114 0.483 . . . . 0.0 110.077 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -71.43 -31.44 67.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.687 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.49 -50.12 60.38 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.2 mt -57.88 -43.72 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.818 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.44 -28.9 67.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.031 179.08 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 36.3 m -77.6 -43.83 30.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.034 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.86 -31.95 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.748 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -72.07 -35.17 69.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.022 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.71 -36.19 57.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.452 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -75.8 -51.17 13.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.791 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.448 ' NH1' HG22 ' A' ' 94' ' ' ILE . 21.0 mtp-105 -48.07 -45.56 32.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.379 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -70.03 -44.57 68.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.683 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.84 -34.99 79.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.589 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.61 -53.5 4.92 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.806 0.298 . . . . 0.0 111.806 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.429 ' HA ' ' HB3' ' A' ' 63' ' ' GLU . 71.5 mt -53.85 -46.42 63.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.006 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.48 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 33.4 mttm -49.56 -50.29 42.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.665 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.48 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 23.6 p90 -175.79 99.76 0.07 Allowed 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.103 0.478 . . . . 0.0 111.086 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.589 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.6 OUTLIER 179.2 -93.44 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.23 179.707 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.409 ' HB3' ' HB2' ' A' ' 65' ' ' ARG . 33.6 mt-10 -138.55 59.95 1.62 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.868 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.429 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 0.9 OUTLIER -53.51 -37.34 62.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.645 179.754 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.603 ' HA ' HD21 ' A' ' 67' ' ' ASN . 16.8 tt0 -69.04 -10.2 56.35 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.594 0.235 . . . . 0.0 111.607 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.409 ' HB2' ' HB3' ' A' ' 62' ' ' GLU . 11.9 ttt180 -82.26 -59.02 2.69 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.556 178.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.14 -47.88 34.46 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.704 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.603 HD21 ' HA ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -62.0 -54.97 34.2 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.755 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -41.59 -51.77 3.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.443 178.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -71.94 -31.55 66.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.749 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.836 HD13 HD13 ' A' ' 96' ' ' LEU . 1.1 mt -59.19 -40.92 87.22 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.147 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -62.91 -33.13 74.68 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.503 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.88 -41.11 60.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.433 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.5 tp -57.5 -40.92 79.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.774 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.421 ' HA ' HG12 ' A' ' 77' ' ' VAL . 4.5 tm0? -60.6 -48.9 79.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.173 178.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -64.09 -24.41 67.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.959 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.75 ' HA ' HD12 ' A' ' 79' ' ' ILE . 30.3 mttp -81.18 -51.6 8.25 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.161 0.505 . . . . 0.0 110.173 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 74' ' ' GLN . 9.5 p -60.89 -26.5 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.583 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' A' ' 80' ' ' LYS . 4.6 mt-10 -59.64 -49.22 78.6 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.23 178.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.75 HD12 ' HA ' ' A' ' 76' ' ' LYS . 2.8 mt -60.4 3.19 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.398 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' A' ' 78' ' ' GLU . 1.5 ptpt 79.69 108.32 0.07 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.75 0.786 . . . . 0.0 111.305 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.617 ' HB3' HD23 ' A' ' 82' ' ' LEU . 2.7 mt-30 -166.11 -54.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.663 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.617 HD23 ' HB3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -124.97 55.39 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.508 -179.34 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -63.29 -36.76 84.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.064 0.459 . . . . 0.0 110.37 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -67.54 -44.37 78.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.619 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.519 ' O ' HG23 ' A' ' 89' ' ' VAL . 7.1 t80 -52.13 -47.5 65.33 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.961 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 24.8 t-105 -57.77 -43.24 85.38 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.417 ' O ' HG12 ' A' ' 90' ' ' VAL . 1.7 mm-40 -65.29 -41.19 94.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.053 0.454 . . . . 0.0 110.146 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 7.1 mt -73.75 -19.66 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.376 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 85' ' ' PHE . 4.0 t -78.25 -41.23 26.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.265 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' ' 87' ' ' GLU . 9.5 p -73.96 -29.72 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.062 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -75.18 -50.86 14.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.689 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -57.49 -18.65 19.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.654 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.41 -24.48 31.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.279 -0.963 . . . . 0.0 113.976 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 89' ' ' VAL . 1.1 pt -46.7 112.48 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 117.563 0.681 . . . . 0.0 110.837 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.494 ' HA ' HD11 ' A' ' 116' ' ' LEU . 43.8 p -93.52 -167.21 1.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.974 -178.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.836 HD13 HD13 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -88.83 -163.02 0.92 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.686 -179.103 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.551 HG21 ' ND2' ' A' ' 67' ' ' ASN . 1.2 mp -108.76 109.97 30.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.021 0.438 . . . . 0.0 111.255 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.13 137.02 43.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.767 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.748 ' H ' ' HB ' ' A' ' 107' ' ' VAL . 4.1 mtmt -54.08 -31.13 50.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 0.0 110.77 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -72.25 -30.28 64.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.45 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -67.03 -8.88 33.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.052 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -147.14 -127.58 0.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.523 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 97.3 p -89.51 153.95 20.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.741 0.305 . . . . 0.0 110.846 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 105.29 -142.84 15.58 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.705 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.529 ' H ' ' HD2' ' A' ' 99' ' ' LYS . 29.7 m -119.98 -116.52 0.32 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.7 t -123.94 88.51 2.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.745 0.307 . . . . 0.0 110.231 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.748 ' HB ' ' H ' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -45.13 150.13 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.877 -179.851 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.7 t -47.88 150.88 1.01 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.551 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.697 ' HB1' ' HB2' ' A' ' 113' ' ' LYS . . . -69.99 -27.07 64.4 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.102 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.406 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 22.8 mt-10 -44.42 -21.86 0.06 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.551 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 1.9 tt0 -88.95 -59.86 2.11 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.951 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.439 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -78.55 -33.0 48.12 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -178.331 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.697 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 11.8 tttm -87.64 -42.62 12.55 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -178.095 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.406 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -70.17 -33.34 71.64 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -178.439 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.407 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . 18.1 m-85 -79.26 -47.14 16.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.737 0.303 . . . . 0.0 111.329 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.494 HD11 ' HA ' ' A' ' 95' ' ' THR . 0.4 OUTLIER -87.37 57.09 4.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.88 0.372 . . . . 0.0 110.842 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.04 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 . . . . . 0 CA--C 1.53 0.176 0 CA-C-O 120.407 0.146 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.03 -33.51 26.67 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.505 2.137 . . . . 0.0 112.668 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.45 -39.14 77.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.168 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.516 ' O ' HG23 ' A' ' 11' ' ' VAL . 5.9 tt0 -71.75 -46.14 59.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.056 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -62.54 -34.27 76.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.645 ' HD1' ' HB1' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -70.04 -47.85 60.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.803 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 15.2 mtp-105 -61.24 -37.41 83.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 7' ' ' GLU . 96.8 t -71.81 -44.97 67.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.266 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.58 -28.85 67.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.439 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 9' ' ' PHE . 35.9 m -95.51 -5.6 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.695 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -100.62 -53.93 2.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.477 -179.83 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -63.48 -11.71 25.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.27 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -175.94 132.26 0.25 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -81.46 87.9 6.18 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.569 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.35 30.04 1.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m 65.08 140.4 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.303 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -79.51 63.12 4.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.425 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -129.42 -63.38 0.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.99 -44.51 89.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.645 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -61.77 -40.11 94.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.328 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.632 ' O ' HD12 ' A' ' 28' ' ' ILE . 84.1 p -70.09 -54.8 11.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.838 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -51.46 -49.58 61.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.51 -45.92 87.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.566 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.36 -49.9 73.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.789 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 24' ' ' SER . 1.5 mp -58.54 -42.38 84.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.11 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -60.56 -45.44 93.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.882 0.372 . . . . 0.0 110.257 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -57.01 -47.25 81.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.845 179.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.1 mt -56.48 -49.48 77.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.196 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.446 ' HA ' HD12 ' A' ' 35' ' ' LEU . 26.1 mt-10 -54.14 -45.34 71.96 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.661 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -59.38 -46.04 89.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.255 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -55.21 -32.0 61.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.928 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 32' ' ' GLU . 6.0 mt -72.44 -18.4 61.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.218 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -66.76 -8.98 32.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.789 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.34 110.64 14.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.558 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -78.45 64.91 3.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.087 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.413 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 5.6 mm-40 -113.77 147.4 38.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.796 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.5 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 5.5 m -60.52 -50.19 86.64 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.721 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 40' ' ' THR . 66.3 Cg_endo -73.45 -9.12 22.64 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.193 1.929 . . . . 0.0 112.619 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -85.0 -31.78 23.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.136 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -76.58 -19.59 57.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.938 0.399 . . . . 0.0 110.624 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 63.2 mtt -69.77 -30.79 68.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.354 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.87 -27.07 43.99 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.395 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.69 -52.16 53.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.975 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.496 HD11 HG21 ' A' ' 88' ' ' ILE . 6.7 mt -60.97 -38.67 79.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.164 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -24.6 66.85 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.745 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -85.92 -47.26 9.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.184 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.418 HG22 ' HA ' ' A' ' 47' ' ' ILE . 6.9 tt -64.31 -20.37 26.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 121.004 0.43 . . . . 0.0 110.477 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -78.54 -54.33 6.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.989 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.29 -31.08 69.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.661 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -77.3 -58.23 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.983 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.466 HH21 HG23 ' A' ' 94' ' ' ILE . 4.8 tmm_? -55.03 -28.73 54.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -75.18 -60.38 2.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.388 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.04 -21.27 66.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.87 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.582 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.8 -62.27 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 0.0 111.717 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.701 HD13 ' HA ' ' A' ' 63' ' ' GLU . 50.6 mm -57.02 -37.94 57.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.557 -179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.415 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 11.6 mttt -55.91 -44.41 78.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.415 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 2.8 p90 -176.3 89.11 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 121.171 0.51 . . . . 0.0 111.251 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.582 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -175.18 -98.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.312 179.625 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -129.65 66.2 1.47 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.937 0.399 . . . . 0.0 110.822 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.701 ' HA ' HD13 ' A' ' 58' ' ' ILE . 8.1 pt-20 -51.1 -36.77 42.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.711 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.573 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 56.6 mt-30 -69.28 -23.41 63.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.84 0.352 . . . . 0.0 111.278 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 65' ' ' ARG . 8.6 ttt180 -71.49 -23.7 61.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.232 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.414 ' HZ ' HG12 ' A' ' 50' ' ' ILE . 19.1 t80 -87.57 -46.05 9.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.732 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.573 ' ND2' ' HA ' ' A' ' 64' ' ' GLN . 4.6 p30 -67.22 -18.7 65.35 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -75.51 -57.53 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.252 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -63.54 -32.25 73.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.576 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.107 HD13 HD13 ' A' ' 96' ' ' LEU . 5.4 mt -62.07 -50.82 70.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.303 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -57.31 -47.84 80.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.322 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.99 -48.82 64.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.819 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 27.6 tp -52.88 -53.26 51.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.331 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.508 ' O ' HG13 ' A' ' 77' ' ' VAL . 10.2 tm0? -52.39 -50.37 62.57 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.51 ' O ' HG12 ' A' ' 79' ' ' ILE . 13.0 mt-10 -60.51 -32.52 71.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.247 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -70.02 -44.51 69.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.233 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.529 HG23 ' HA ' ' A' ' 83' ' ' ASN . 0.7 OUTLIER -60.96 -30.37 47.42 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 C-N-CA 120.548 -0.461 . . . . 0.0 109.803 179.72 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.427 ' C ' ' H ' ' A' ' 80' ' ' LYS . 14.1 mt-10 -66.34 -33.98 76.95 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.637 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.51 HG12 ' O ' ' A' ' 75' ' ' GLU . 19.0 mm -65.76 -0.05 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.291 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.427 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 74.77 111.32 0.07 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.429 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.533 ' HB3' HD23 ' A' ' 82' ' ' LEU . 0.9 OUTLIER 172.12 -36.31 0.0 OUTLIER 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.175 -179.667 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -147.14 43.79 1.14 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.052 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.529 ' HA ' HG23 ' A' ' 77' ' ' VAL . 3.7 t-20 -64.12 -14.53 55.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.061 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.54 -34.4 35.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.334 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.432 ' O ' HG23 ' A' ' 89' ' ' VAL . 14.0 t80 -62.9 -30.19 71.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.59 0.233 . . . . 0.0 110.98 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.606 ' HH2' HD21 ' A' ' 96' ' ' LEU . 35.8 t-105 -76.1 -48.33 21.13 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.743 0.306 . . . . 0.0 110.419 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -61.35 -19.71 62.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.088 0.47 . . . . 0.0 109.803 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.496 HG21 HD11 ' A' ' 47' ' ' ILE . 52.5 mt -85.1 -57.82 4.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.595 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.568 HG13 HD12 ' A' ' 94' ' ' ILE . 24.3 t -47.2 -33.39 2.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.392 178.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.2 p -87.23 -39.91 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.846 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.489 ' HB2' ' HA ' ' A' ' 88' ' ' ILE . 2.0 mt-30 -46.46 -30.4 2.16 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.329 178.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.74 -44.97 9.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.208 0.528 . . . . 0.0 109.626 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 120.83 34.19 0.93 Allowed Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.429 -0.805 . . . . 0.0 113.367 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.568 HD12 HG13 ' A' ' 89' ' ' VAL . 14.8 mt -78.43 144.09 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.0 p -95.01 -167.28 1.6 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.247 0.546 . . . . 0.0 112.26 -178.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 1.107 HD13 HD13 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -115.68 11.79 15.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.109 -179.332 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.645 ' HB ' ' O ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER 83.3 126.63 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 O-C-N 124.148 0.905 . . . . 0.0 109.934 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.24 157.35 27.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.094 0.473 . . . . 0.0 112.115 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.484 ' N ' ' HB ' ' A' ' 107' ' ' VAL . 10.9 ttmt -34.79 -84.28 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.609 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.557 ' C ' ' H ' ' A' ' 102' ' ' ALA . 33.4 tt0 -59.5 -15.13 15.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.918 -178.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -69.85 21.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 0.0 110.901 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.557 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -136.88 -59.46 0.71 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.761 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.2 -35.88 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.709 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 160.77 46.14 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.241 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.822 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.467 ' O ' ' HA ' ' A' ' 99' ' ' LYS . 69.8 m -121.24 127.55 51.53 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.992 0.425 . . . . 0.0 111.397 -179.325 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.461 ' HA ' ' HG3' ' A' ' 99' ' ' LYS . 50.3 m -55.87 134.03 51.7 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.04 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.484 ' HB ' ' N ' ' A' ' 99' ' ' LYS . 40.7 t -135.5 117.54 21.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.0 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.47 HG23 ' H ' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -47.91 150.1 1.2 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.667 -178.681 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.26 -12.5 59.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.285 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.47 ' H ' HG23 ' A' ' 108' ' ' THR . 27.6 mt-10 -78.49 -16.6 57.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.204 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.456 ' H ' HG23 ' A' ' 108' ' ' THR . 4.1 tt0 -81.53 -48.78 11.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.315 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.543 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.06 -33.58 19.46 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -178.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -85.2 -48.8 8.77 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.11 -40.59 96.4 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.451 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.474 ' CD2' HD11 ' A' ' 96' ' ' LEU . 17.2 m-85 -69.27 -48.03 62.88 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 70.3 mt -81.04 145.79 30.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.953 0.406 . . . . 0.0 111.165 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.686 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.4 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 1.9 t-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.408 0.147 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 4' ' ' ASN . 44.5 Cg_exo -57.07 -39.15 93.23 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.559 2.173 . . . . 0.0 112.386 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.92 -30.1 66.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.194 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.46 ' O ' HG22 ' A' ' 11' ' ' VAL . 36.2 mt-10 -73.22 -52.35 14.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -57.06 -29.85 63.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 179.864 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.521 ' HB2' HD23 ' A' ' 27' ' ' LEU . 62.7 t80 -78.57 -46.82 18.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.575 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -57.88 -34.78 70.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 7' ' ' GLU . 18.4 m -79.83 -43.28 22.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.112 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 8' ' ' ASN . 0.1 OUTLIER -58.53 -33.07 69.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.956 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.473 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 30.8 m -87.98 -1.86 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.121 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -129.72 38.37 3.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.634 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.445 ' H ' ' HG3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -116.26 -47.75 2.74 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.668 0.271 . . . . 0.0 111.265 179.608 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.3 -39.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.886 0.374 . . . . 0.0 110.178 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.561 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 10.5 mttt -132.48 -156.2 0.73 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.286 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 17' ' ' LYS . . . 84.18 -54.0 0.13 Allowed 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.54 0.525 . . . . 0.0 110.481 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.1 m 49.26 -81.43 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.277 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.511 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -167.97 30.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.37 -179.052 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -114.38 -77.89 0.58 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.767 0.318 . . . . 0.0 111.083 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -64.38 -41.72 96.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.467 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . . . -68.44 -29.28 67.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.096 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.0 m -70.59 -57.02 5.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.483 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.428 ' O ' HG22 ' A' ' 28' ' ' ILE . 34.0 m-80 -54.15 -43.01 70.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.44 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -59.5 -47.09 86.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.359 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.521 HD23 ' HB2' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -57.25 -47.94 80.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.698 179.47 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.428 HG22 ' O ' ' A' ' 25' ' ' ASN . 0.9 OUTLIER -61.9 -35.45 68.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.899 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -64.69 -45.08 88.15 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.902 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -44.37 90.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.623 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 98.5 mt -57.15 -50.28 77.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.017 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -54.26 -44.62 71.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.638 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -59.15 -46.09 89.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.292 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -55.83 -31.53 62.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.884 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.8 mt -74.55 -18.21 60.62 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.054 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -66.29 -6.48 14.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.757 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.76 113.39 16.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.558 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -78.61 62.61 3.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.284 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.541 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 6.6 mm-40 -119.34 143.76 47.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.718 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.532 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 3.5 m -58.77 -49.79 91.5 Favored Pre-proline 0 CA--C 1.533 0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.71 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.541 ' HD2' ' HB3' ' A' ' 39' ' ' GLU . 25.9 Cg_exo -63.03 -15.01 45.16 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.185 1.923 . . . . 0.0 112.274 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -86.37 -35.62 19.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.003 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -68.32 -26.03 65.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.746 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 60.4 mtt -67.53 -33.17 74.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.427 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -29.5 61.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.674 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -52.0 44.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.183 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.2 mt -58.68 -41.55 82.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.173 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -25.05 67.34 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.185 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.9 m -82.41 -41.25 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.317 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.433 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 1.6 tt -70.71 -25.56 26.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.683 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -79.29 -29.98 42.73 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.83 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.43 -34.55 31.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.139 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -77.46 -50.26 13.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.727 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 2.1 tmt_? -52.27 -45.21 65.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.302 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -64.13 -53.72 45.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.543 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -64.2 -22.01 66.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.5 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.555 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.12 -59.24 2.35 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.196 -179.509 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.0 pp -56.81 -40.07 68.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.754 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.45 ' HB3' ' CD1' ' A' ' 60' ' ' PHE . 59.5 mttt -51.95 -55.01 22.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.625 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 59' ' ' LYS . 21.8 p90 -178.84 86.21 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 121.247 0.546 . . . . 0.0 110.836 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.555 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -167.73 -100.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.199 179.743 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -130.9 64.17 1.58 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.964 0.412 . . . . 0.0 110.941 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.92 -37.04 63.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.291 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.851 ' HA ' HD22 ' A' ' 67' ' ' ASN . 1.7 tt0 -63.68 -24.24 67.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.866 0.365 . . . . 0.0 111.049 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 65' ' ' ARG . 1.3 ttt180 -73.0 -20.8 60.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.967 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.26 -48.26 7.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.542 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.851 HD22 ' HA ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -63.11 -18.3 63.27 Favored 'General case' 0 CA--C 1.521 -0.155 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.563 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -77.88 -57.41 3.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.594 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -66.1 -29.06 69.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.283 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.719 HD13 HD13 ' A' ' 96' ' ' LEU . 7.0 mt -67.41 -51.78 47.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.867 0.365 . . . . 0.0 110.567 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -56.26 -43.86 79.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.989 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.4 -45.5 65.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.76 ' O ' HG13 ' A' ' 77' ' ' VAL . 28.3 tp -55.87 -52.72 63.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.901 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -54.69 32.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.488 ' O ' HD12 ' A' ' 79' ' ' ILE . 12.1 mt-10 -58.8 -43.39 90.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.227 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -61.62 -58.42 8.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.337 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.76 HG13 ' O ' ' A' ' 73' ' ' LEU . 1.1 m -64.11 -17.93 21.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.851 0.358 . . . . 0.0 110.916 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.38 -56.65 4.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.219 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.488 HD12 ' O ' ' A' ' 75' ' ' GLU . 2.6 mt -75.62 52.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.003 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.41 111.46 0.06 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.376 0.608 . . . . 0.0 111.686 178.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.436 ' HB2' ' HA ' ' A' ' 77' ' ' VAL . 0.1 OUTLIER 174.59 -83.54 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.052 179.333 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.77 72.37 1.33 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.846 0.355 . . . . 0.0 111.311 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -71.06 -14.83 62.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.111 0.481 . . . . 0.0 110.316 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -65.9 -44.79 84.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.054 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -55.63 -30.49 61.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.813 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -80.39 -42.13 23.37 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.707 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 25.1 mt-10 -61.99 -24.84 67.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.209 0.528 . . . . 0.0 109.726 179.151 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.4 mt -85.53 -57.74 4.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.707 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.622 HG13 ' HB ' ' A' ' 94' ' ' ILE . 3.5 t -46.77 -33.03 1.97 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.35 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.0 p -88.09 -38.87 12.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.73 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 29.6 tt0 -47.02 -30.69 2.79 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.151 178.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.74 -45.29 9.41 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 123.53 16.5 3.41 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.265 -0.88 . . . . 0.0 113.203 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.622 ' HB ' HG13 ' A' ' 89' ' ' VAL . 26.4 mt -54.09 137.68 14.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.843 0.321 . . . . 0.0 110.179 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.518 ' HA ' HD11 ' A' ' 116' ' ' LEU . 31.0 p -99.89 -167.59 1.48 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.224 0.535 . . . . 0.0 112.067 -178.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.719 HD13 HD13 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -116.17 -176.26 2.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.777 -179.484 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.539 ' O ' HG11 ' A' ' 107' ' ' VAL . 1.7 mp -78.39 112.01 15.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 178.223 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.456 ' HA ' HG12 ' A' ' 107' ' ' VAL . 0.2 OUTLIER -120.54 159.66 24.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.806 0.336 . . . . 0.0 111.748 -179.375 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -36.11 -76.96 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.619 179.478 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -63.99 -20.53 65.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.532 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -76.08 -9.43 58.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.773 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -154.3 133.8 12.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.955 0.407 . . . . 0.0 111.73 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.412 ' HB3' ' H ' ' A' ' 104' ' ' GLY . 18.0 m 53.24 -164.15 0.09 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.432 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.412 ' H ' ' HB3' ' A' ' 103' ' ' SER . . . -76.66 72.85 1.95 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.213 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 99' ' ' LYS . 5.5 t 46.79 61.41 2.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.639 0.257 . . . . 0.0 111.394 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.462 ' O ' HG23 ' A' ' 107' ' ' VAL . 0.2 OUTLIER -126.94 97.09 4.84 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.539 HG11 ' O ' ' A' ' 97' ' ' ILE . 1.0 OUTLIER 151.12 121.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.939 0.895 . . . . 0.0 110.21 178.584 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.3 t -58.85 150.51 23.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.322 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.43 ' HA ' HG23 ' A' ' 98' ' ' THR . . . -78.73 -22.95 45.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.386 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 5.1 mt-10 -42.17 -25.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.634 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -83.49 -48.55 10.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.208 0.527 . . . . 0.0 110.586 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.567 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -71.37 -21.78 61.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.873 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -88.28 -49.36 7.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.978 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -68.2 -29.04 67.8 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.488 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.546 ' CD2' HD11 ' A' ' 96' ' ' LEU . 6.5 m-85 -72.97 -47.2 47.46 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.518 HD11 ' HA ' ' A' ' 95' ' ' THR . 2.7 mt -76.18 -30.42 58.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.237 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.063 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.409 0.147 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.55 -35.55 81.06 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.452 2.101 . . . . 0.0 112.215 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.67 -23.66 65.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.551 ' O ' HG23 ' A' ' 11' ' ' VAL . 40.7 mt-10 -85.36 -43.43 13.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -59.47 -50.87 72.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.668 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.546 ' HD1' ' HB1' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -56.48 -47.0 80.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.737 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.419 ' HA ' HG22 ' A' ' 13' ' ' VAL . 71.0 mtt180 -63.92 -29.26 70.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.088 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 7' ' ' GLU . 28.7 t -74.34 -42.96 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.439 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.752 HD12 HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -72.27 -26.81 62.13 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.322 -179.523 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.752 HG13 HD12 ' A' ' 12' ' ' LEU . 19.0 m -94.74 -3.19 10.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.779 0.323 . . . . 0.0 111.051 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -63.16 -10.82 16.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.761 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.593 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -116.28 -50.16 2.66 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.246 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.593 ' HB3' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER 131.67 6.46 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.565 1.146 . . . . 0.0 109.407 179.59 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -68.02 -35.74 78.79 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.718 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 19' ' ' SER . . . -93.51 -11.7 31.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.502 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.453 ' O ' ' O ' ' A' ' 18' ' ' ALA . 5.2 t 52.08 153.48 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.348 0.594 . . . . 0.0 112.468 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -80.56 48.06 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.655 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -131.06 -66.72 0.73 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.82 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -69.68 -40.99 76.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.673 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.546 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -67.13 -33.03 74.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.99 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 p -73.95 -56.72 4.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.714 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.4 ' O ' HG22 ' A' ' 28' ' ' ILE . 15.4 m-80 -52.62 -44.8 66.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.905 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -62.04 -43.98 97.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.609 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -57.96 -46.45 85.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.706 179.556 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.4 HG22 ' O ' ' A' ' 25' ' ' ASN . 1.1 tp -65.15 -34.32 69.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.811 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -45.16 85.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.939 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -58.81 -44.43 90.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.834 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.0 mt -58.73 -50.03 80.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.201 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.605 ' HA ' HD12 ' A' ' 35' ' ' LEU . 31.5 mt-10 -54.05 -45.39 71.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.74 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -58.95 -46.04 89.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.297 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -55.47 -32.38 62.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.733 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.605 HD12 ' HA ' ' A' ' 32' ' ' GLU . 4.0 mt -79.85 -18.76 49.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.834 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -79.63 -1.34 37.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.18 123.1 31.21 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.684 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -72.43 114.93 11.08 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.677 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -164.28 155.06 15.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.798 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.509 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 5.7 m -81.07 -49.53 1.02 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.691 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.509 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 7.4 Cg_exo -73.19 -1.06 10.01 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.495 2.13 . . . . 0.0 112.437 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -86.24 -47.57 9.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.164 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -61.65 -34.48 75.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.903 0.382 . . . . 0.0 110.703 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 61.9 mtt -65.32 -32.6 74.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.313 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -77.3 -28.04 53.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.439 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.69 -51.09 60.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.14 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.528 HD11 HG21 ' A' ' 88' ' ' ILE . 4.0 mt -60.24 -41.13 85.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.267 178.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.54 -21.86 65.87 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.857 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.1 m -86.44 -46.66 10.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.166 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.5 tt -64.27 -21.19 28.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 121.049 0.452 . . . . 0.0 110.284 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.25 -54.46 6.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.096 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.13 71.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.575 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.447 ' HB3' ' HZ ' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -72.73 -55.08 7.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.01 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -56.45 -41.81 77.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.196 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 14.4 mt-10 -61.44 -57.49 11.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.482 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.46 -27.8 67.33 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.623 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -87.28 -62.19 1.56 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.507 HD13 ' HA ' ' A' ' 63' ' ' GLU . 37.0 mm -54.09 -38.0 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.896 -178.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.409 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 35.4 mttt -58.51 -42.83 88.55 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.13 -0.228 . . . . 0.0 110.988 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.409 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 19.5 p90 -172.7 78.0 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.929 0.395 . . . . 0.0 111.822 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.623 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -176.8 -106.52 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.577 179.42 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.682 ' HB3' ' HB3' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -103.42 82.87 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.404 . . . . 0.0 111.372 -178.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.507 ' HA ' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -81.12 -49.48 10.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.613 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.579 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 75.1 mt-30 -69.97 -21.1 63.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.794 0.331 . . . . 0.0 111.518 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.682 ' HB3' ' HB3' ' A' ' 62' ' ' GLU . 2.4 ttt180 -74.22 -19.38 60.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.118 0.485 . . . . 0.0 109.949 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.47 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -87.16 -45.91 10.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.221 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.579 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.8 OUTLIER -68.69 -18.58 64.28 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.709 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -75.59 -58.32 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.573 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -64.93 -29.7 70.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.857 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.815 HD13 HD13 ' A' ' 96' ' ' LEU . 5.2 mt -67.84 -47.35 69.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.567 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -56.08 -42.38 76.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.78 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.39 -44.63 58.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.001 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.645 ' O ' HG12 ' A' ' 77' ' ' VAL . 35.8 tp -56.09 -49.36 74.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.635 ' O ' HG13 ' A' ' 77' ' ' VAL . 4.7 tm0? -53.82 -49.75 67.68 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.71 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.504 ' O ' HG12 ' A' ' 79' ' ' ILE . 33.2 mt-10 -65.15 -28.38 69.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.237 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -71.11 -46.82 60.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.085 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.645 HG12 ' O ' ' A' ' 73' ' ' LEU . 0.2 OUTLIER -59.19 -31.9 47.02 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.532 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -64.98 -32.51 74.26 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 75' ' ' GLU . 14.9 mm -67.99 -0.6 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.342 178.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.18 111.16 0.07 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.72 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.43 ' HB3' HD23 ' A' ' 82' ' ' LEU . 0.8 OUTLIER 176.31 -43.71 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.825 -179.727 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.43 HD23 ' HB3' ' A' ' 81' ' ' GLN . 0.1 OUTLIER -141.47 47.51 1.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.78 -179.813 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.543 ' HA ' HG23 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -65.68 -14.44 61.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.871 179.786 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 -37.24 43.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.966 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.467 ' O ' HG23 ' A' ' 89' ' ' VAL . 14.8 t80 -65.88 -25.87 67.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.865 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.417 ' O ' HG12 ' A' ' 90' ' ' VAL . 20.9 t-105 -75.79 -52.98 9.21 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.605 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.09 -18.5 60.95 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.189 0.519 . . . . 0.0 110.122 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.528 HG21 HD11 ' A' ' 47' ' ' ILE . 44.2 mt -85.38 -60.81 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.166 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 85' ' ' PHE . 48.8 t -49.2 -31.61 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.333 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.517 HG13 ' N ' ' A' ' 91' ' ' GLN . 12.0 p -78.58 -50.13 19.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.758 0.313 . . . . 0.0 110.492 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.517 ' N ' HG13 ' A' ' 90' ' ' VAL . 30.2 tt0 -53.47 -35.8 60.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.958 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.99 5.43 2.03 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.341 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.73 -1.88 56.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.894 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 9.3 mt -70.83 137.81 23.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.751 0.31 . . . . 0.0 110.675 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.4 t -130.7 165.93 21.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.026 0.441 . . . . 0.0 111.587 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.815 HD13 HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -57.94 177.1 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.548 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.505 ' O ' HG11 ' A' ' 107' ' ' VAL . 1.3 mp -74.79 124.88 33.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.141 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.77 145.3 30.56 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.535 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.577 ' HG3' ' HA ' ' A' ' 106' ' ' SER . 22.5 tttt -31.05 -86.06 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.912 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.53 ' C ' ' H ' ' A' ' 102' ' ' ALA . 2.0 pt-20 -61.54 -11.68 12.08 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -70.37 21.87 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.712 0.291 . . . . 0.0 111.187 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.53 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -136.28 -59.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.855 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.7 p -178.65 -39.43 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.71 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 164.86 49.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.821 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.9 m -122.58 127.09 48.98 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.034 0.445 . . . . 0.0 111.614 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.577 ' HA ' ' HG3' ' A' ' 99' ' ' LYS . 28.9 p -57.67 137.35 56.54 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.56 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.505 HG11 ' O ' ' A' ' 97' ' ' ILE . 4.2 t -138.3 132.35 41.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.278 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.38 149.57 10.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.539 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.61 -12.41 58.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.84 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -84.58 -16.51 41.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.148 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.769 ' HG3' HD12 ' A' ' 96' ' ' LEU . 5.9 tt0 -81.2 -46.6 14.59 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.992 -178.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.432 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.84 -45.68 10.09 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -178.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -78.31 -46.92 18.91 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -177.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.9 tmtp? -65.96 -40.52 91.36 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -62.16 -47.49 84.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.655 0.264 . . . . 0.0 111.467 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.0 mp -100.48 41.5 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.169 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.006 179.82 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.469 0.176 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -56.35 -33.14 90.84 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.453 2.102 . . . . 0.0 112.271 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.39 -24.76 60.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.473 ' O ' HG22 ' A' ' 11' ' ' VAL . 33.4 mt-10 -78.4 -48.39 15.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.95 -27.43 68.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.58 ' HD1' ' HB1' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -81.82 -46.71 13.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.688 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 14.1 mtp180 -61.47 -32.78 72.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.316 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 7' ' ' GLU . 27.5 m -78.47 -42.66 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.702 0.287 . . . . 0.0 111.398 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.412 ' N ' HG23 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -63.19 -27.14 69.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.91 -179.873 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 9' ' ' PHE . 25.1 m -95.01 -1.88 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.095 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 11.2 tttt -123.4 42.49 3.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 11.3 mm100 -116.08 -47.56 2.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.899 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.528 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -179.84 -40.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.422 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.528 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 4.3 mptt -156.18 152.94 28.47 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.892 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 179.61 -29.23 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.69 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m 63.81 130.6 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.022 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -77.02 58.67 1.55 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.978 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -133.95 -62.05 0.78 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.731 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -68.7 -43.52 75.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.639 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -66.95 -31.33 71.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.87 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.62 ' O ' HD12 ' A' ' 28' ' ' ILE . 49.8 m -74.2 -57.87 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.514 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -51.54 -42.68 61.96 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.768 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -63.24 -45.33 92.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.38 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.422 ' HA ' HD22 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -55.89 -46.26 78.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.451 179.424 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.62 HD12 ' O ' ' A' ' 24' ' ' SER . 1.7 mp -62.78 -41.94 94.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.673 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -59.67 -43.79 93.84 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.204 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -59.83 -48.57 81.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.925 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 98.3 mt -55.33 -49.45 72.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.185 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -54.78 -45.04 74.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.66 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -58.41 -45.88 87.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.215 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -56.72 -31.21 64.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.789 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.6 mt -77.12 -17.92 58.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.959 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -65.94 -4.97 7.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.75 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.53 116.47 18.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.405 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -77.23 58.78 1.66 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.376 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.501 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 6.6 mm-40 -120.35 136.77 54.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.599 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.518 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 2.4 m -53.65 -49.76 87.11 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.779 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.518 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 32.1 Cg_exo -58.89 -21.16 56.2 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.178 1.918 . . . . 0.0 112.479 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -84.76 -36.71 21.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.147 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -70.13 -24.75 63.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.939 0.399 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 64.4 mtt -68.41 -32.24 72.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.344 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.14 -30.51 62.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.546 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.6 m -64.4 -50.93 65.71 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.096 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.515 HD11 HG21 ' A' ' 88' ' ' ILE . 6.4 mt -59.62 -40.66 82.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.981 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -26.84 68.03 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.136 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -81.34 -40.35 23.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.348 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.2 tt -69.88 -27.25 32.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.752 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.4 ' HD3' HH11 ' A' ' 51' ' ' ARG . 5.3 mtm180 -77.24 -31.32 55.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.792 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.64 -37.13 28.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.339 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -72.7 -48.38 39.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.496 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.463 HH21 HD12 ' A' ' 97' ' ' ILE . 9.3 mtp180 -51.5 -47.6 63.19 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.278 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -62.64 -45.56 92.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.436 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.53 -36.4 83.69 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -178.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.623 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.65 -54.06 4.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 111.843 -178.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.497 HG23 ' HA ' ' A' ' 102' ' ' ALA . 64.9 mt -52.21 -46.07 44.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.248 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.496 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 3.8 mttp -50.71 -47.3 59.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.693 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.496 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 21.8 p90 179.77 95.85 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.131 0.491 . . . . 0.0 111.071 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.623 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.6 OUTLIER -179.11 -100.28 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.276 179.596 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -131.69 63.35 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.888 0.375 . . . . 0.0 111.296 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -56.05 -31.38 63.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.042 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.588 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 69.3 mt-30 -72.14 -21.95 61.38 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -72.89 -18.97 61.36 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.05 -43.59 12.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.321 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.588 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.6 OUTLIER -69.64 -18.47 63.59 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.652 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -79.59 -58.42 3.2 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.463 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -58.94 -29.6 67.25 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.652 178.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.451 ' CD2' HD22 ' A' ' 73' ' ' LEU . 11.3 mt -76.38 -41.83 46.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.746 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.429 ' HA ' ' HZ ' ' A' ' 115' ' ' PHE . 30.1 mttt -53.13 -44.72 67.95 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.729 178.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.34 -42.22 62.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.38 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.451 HD22 ' CD2' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -49.97 -41.89 47.65 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.181 179.222 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.406 ' HB2' ' HE2' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -62.54 -48.34 79.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.327 179.1 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.418 ' O ' HD12 ' A' ' 79' ' ' ILE . 26.3 mt-10 -65.97 -23.57 66.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.888 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.654 ' HA ' HD12 ' A' ' 79' ' ' ILE . 12.9 tttm -81.48 -51.76 7.95 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.441 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 73' ' ' LEU . 7.2 p -58.84 -28.33 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.037 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -61.76 -46.45 89.54 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' A' ' 76' ' ' LYS . 4.4 mt -57.09 -9.51 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.482 178.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 79.12 116.54 0.06 Allowed 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.073 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.614 ' HB3' HD23 ' A' ' 82' ' ' LEU . 1.7 mt-30 175.43 -34.6 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.192 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.614 HD23 ' HB3' ' A' ' 81' ' ' GLN . 0.1 OUTLIER -136.62 40.34 2.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.721 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -63.91 -14.84 56.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.84 -37.49 55.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.024 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -66.18 -25.67 67.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.997 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -76.5 -56.64 4.44 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.104 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 38.6 mt-10 -62.18 -18.21 60.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.677 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.515 HG21 HD11 ' A' ' 47' ' ' ILE . 33.2 mt -85.24 -60.4 2.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.31 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.502 HG13 ' HB ' ' A' ' 94' ' ' ILE . 25.1 t -47.5 -31.39 2.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.537 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.3 p -87.53 -40.71 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.809 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 1.1 mt-30 -46.39 -28.63 1.4 Allowed 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.424 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.59 -44.78 9.32 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 178.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 120.62 35.28 0.86 Allowed Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.386 -0.825 . . . . 0.0 113.179 177.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.502 ' HB ' HG13 ' A' ' 89' ' ' VAL . 5.8 mt -89.17 153.36 3.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.619 0.247 . . . . 0.0 110.356 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.564 ' HA ' HD11 ' A' ' 116' ' ' LEU . 16.8 p -136.13 174.55 10.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.872 0.367 . . . . 0.0 111.167 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.559 HD22 ' HG3' ' A' ' 111' ' ' GLU . 0.1 OUTLIER -76.27 -169.93 1.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.272 0.558 . . . . 0.0 111.161 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.548 ' O ' HG11 ' A' ' 107' ' ' VAL . 1.3 mp -72.0 117.77 15.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.878 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -103.87 152.01 22.44 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.255 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.567 ' HG2' ' H ' ' A' ' 107' ' ' VAL . 30.6 mttm -19.12 -98.33 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.083 -0.962 . . . . 0.0 113.539 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -70.98 -3.21 18.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.675 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -79.43 3.5 18.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.202 0.525 . . . . 0.0 109.674 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.497 ' HA ' HG23 ' A' ' 58' ' ' ILE . . . -128.72 -79.42 0.57 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.416 ' C ' ' H ' ' A' ' 105' ' ' SER . 3.5 t 165.19 -32.73 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.737 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.94 10.79 0.31 Allowed Glycine 0 CA--C 1.519 0.336 0 CA-C-N 115.98 -0.555 . . . . 0.0 114.003 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 103' ' ' SER . 6.5 m 66.26 -101.15 0.07 Allowed 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 117.411 0.606 . . . . 0.0 111.501 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.5 p -70.48 131.18 43.65 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.412 0.625 . . . . 0.0 112.036 -179.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.567 ' H ' ' HG2' ' A' ' 99' ' ' LYS . 3.2 t -131.75 135.96 57.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.211 178.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.75 146.76 4.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.855 -0.612 . . . . 0.0 112.16 -178.612 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -84.28 -13.71 51.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.454 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.684 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 27.3 mt-10 -85.19 -18.42 34.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.729 -178.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.559 ' HG3' HD22 ' A' ' 96' ' ' LEU . 9.3 tt0 -82.61 -48.35 11.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.283 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -87.76 -41.15 13.51 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -87.33 -46.53 9.59 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.684 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -64.66 -40.58 95.68 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -177.786 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.429 ' HZ ' ' HA ' ' A' ' 71' ' ' LYS . 12.4 m-85 -59.29 -39.14 82.06 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.564 HD11 ' HA ' ' A' ' 95' ' ' THR . 1.6 mp -95.42 15.11 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.42 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.156 179.765 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.4 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 1.9 t-20 . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.36 0.124 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 4' ' ' ASN . 39.1 Cg_exo -60.84 -34.66 91.07 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.588 2.192 . . . . 0.0 112.495 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.31 -30.76 67.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.195 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -81.25 -44.5 17.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.076 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -63.43 -27.61 69.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.976 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.567 ' HD1' ' HB1' ' A' ' 23' ' ' ALA . 0.7 OUTLIER -82.41 -45.71 14.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.73 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -62.69 -31.87 72.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.235 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.537 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 14.9 p -78.61 -39.96 23.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.225 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -25.88 66.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.847 0.355 . . . . 0.0 110.631 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 9' ' ' PHE . 24.3 m -96.73 -2.88 10.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.558 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -102.84 -47.03 4.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.427 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 1.3 mm100 -83.46 -0.02 48.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.928 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -169.44 128.48 0.99 Allowed 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -178.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -83.45 81.15 8.85 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.755 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.12 22.17 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.083 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m 65.13 138.02 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.278 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -79.01 57.86 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.57 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -128.26 -68.33 0.77 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.132 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.65 -46.26 90.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.063 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.567 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -60.84 -42.21 97.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.283 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.637 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.3 OUTLIER -65.36 -53.75 38.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.754 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -52.2 -49.4 63.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -56.1 -47.36 78.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.46 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.71 -49.74 72.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.54 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 24' ' ' SER . 1.7 mp -57.34 -43.31 82.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.05 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.66 -45.49 93.93 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.749 0.309 . . . . 0.0 110.281 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -55.64 -47.63 76.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.695 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 28' ' ' ILE . 71.5 mt -56.3 -49.63 75.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.229 178.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.646 ' HA ' HD12 ' A' ' 35' ' ' LEU . 30.0 mt-10 -54.18 -45.38 72.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.746 179.421 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -59.61 -47.23 86.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.259 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -54.67 -32.01 58.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.113 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 32' ' ' GLU . 2.4 mt -71.3 -18.84 62.39 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.775 0.322 . . . . 0.0 111.239 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.02 -10.85 56.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.825 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.29 109.38 13.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.683 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.425 ' HA ' ' HE2' ' A' ' 43' ' ' PHE . 3.8 t30 -76.08 62.01 1.62 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.424 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.561 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 5.8 mm-40 -120.77 161.96 20.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.564 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.561 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 21.2 m -72.05 -49.01 10.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.845 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.561 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 26.8 Cg_exo -62.44 -20.93 71.98 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.192 1.928 . . . . 0.0 112.411 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -86.24 -51.33 6.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.05 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.425 ' HE2' ' HA ' ' A' ' 38' ' ' ASN . 5.5 m-85 -63.76 -28.34 69.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.575 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.7 mtt -61.41 -24.7 66.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.121 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.17 -55.43 5.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.162 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.03 -49.55 6.09 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.65 178.649 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.2 mt -55.23 -49.36 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.068 0.461 . . . . 0.0 110.216 178.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.46 -18.91 65.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.294 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -81.74 -48.05 12.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.078 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.73 -23.23 30.43 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.109 0 CA-C-O 121.185 0.517 . . . . 0.0 109.757 179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -77.15 -55.0 5.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.33 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.24 -33.03 71.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.251 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.401 ' HB3' ' HE1' ' A' ' 66' ' ' PHE . 2.0 t80 -76.34 -56.02 5.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.837 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 55' ' ' GLU . 4.3 ppt_? -55.16 -31.59 61.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.547 -179.326 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 22.4 tt0 -72.55 -54.46 9.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.753 0.311 . . . . 0.0 111.194 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.97 -20.84 66.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.565 ' HB1' ' O ' ' A' ' 62' ' ' GLU . . . -83.95 -60.34 2.14 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.133 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.428 HG23 ' O ' ' A' ' 54' ' ' ARG . 1.4 pp -57.75 -37.27 58.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.893 0.378 . . . . 0.0 110.392 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.479 ' HB3' ' CD1' ' A' ' 60' ' ' PHE . 17.7 mttt -50.78 -55.94 14.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.502 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 59' ' ' LYS . 25.5 p90 178.59 67.11 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.17 0.509 . . . . 0.0 111.309 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.521 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 4.1 m -158.66 -111.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.495 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.565 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 2.0 mm-40 -104.39 79.63 1.6 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.867 0.365 . . . . 0.0 111.309 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.426 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -80.01 -44.96 19.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.732 179.626 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.579 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 61.3 mt-30 -67.79 -24.53 65.33 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.741 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.457 ' HB3' ' HB3' ' A' ' 62' ' ' GLU . 1.8 ttt180 -72.92 -20.13 61.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.67 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.401 ' HE1' ' HB3' ' A' ' 53' ' ' PHE . 1.8 t80 -87.13 -44.82 11.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.501 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.579 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.5 OUTLIER -65.85 -18.39 65.3 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.619 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -79.05 -57.83 3.54 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.5 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -62.03 -33.42 74.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.743 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.561 HD13 HD13 ' A' ' 96' ' ' LEU . 8.6 mt -65.4 -46.1 81.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.163 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -55.97 -46.35 78.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.544 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.99 -43.25 68.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.048 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.56 ' O ' HG12 ' A' ' 77' ' ' VAL . 23.2 tp -54.46 -51.41 65.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.464 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.507 ' O ' HG13 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -49.44 -47.61 48.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.448 179.536 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -65.74 -31.79 72.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.222 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -68.8 -43.12 76.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.9 HG23 ' HA ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -68.81 -28.46 39.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.027 0.442 . . . . 0.0 110.129 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -75.77 -16.71 60.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.17 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.0 mt -120.75 -60.63 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 81' ' ' GLN . 24.2 tttt -35.99 -70.88 0.08 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -178.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.408 ' CB ' ' O ' ' A' ' 80' ' ' LYS . 0.2 OUTLIER 160.24 -21.88 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.247 0.342 . . . . 0.0 110.886 -178.167 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.521 ' HG ' ' HA ' ' A' ' 77' ' ' VAL . 0.6 OUTLIER -74.71 42.31 0.17 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.989 0.423 . . . . 0.0 111.147 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.9 ' HA ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -62.86 -19.82 64.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.925 179.831 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 -73.78 -25.39 60.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.638 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.726 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.7 t80 -60.95 -44.6 97.06 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.593 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.711 ' HB2' HG21 ' A' ' 77' ' ' VAL . 3.7 t-105 -53.37 -47.21 69.65 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.407 ' HA ' HG12 ' A' ' 90' ' ' VAL . 33.6 mt-10 -64.41 -34.02 77.21 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -74.74 -18.4 16.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.477 178.828 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 85' ' ' PHE . 75.8 t -87.41 -35.25 8.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.06 -178.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 87' ' ' GLU . 12.1 p -82.63 -36.69 13.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.816 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -58.44 -46.14 87.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.124 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.05 -1.95 6.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.751 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.66 9.07 86.4 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.025 -0.607 . . . . 0.0 113.088 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.2 mm -66.61 129.83 31.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.795 0.297 . . . . 0.0 110.72 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.417 ' HA ' HD11 ' A' ' 116' ' ' LEU . 49.1 p -121.82 149.53 43.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.495 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.73 HD12 ' HG3' ' A' ' 111' ' ' GLU . 0.3 OUTLIER -55.18 177.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.277 179.778 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.614 HG22 HG21 ' A' ' 107' ' ' VAL . 1.5 mp -74.61 121.23 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.617 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.57 142.34 33.08 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.608 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.604 ' HB3' ' H ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -36.46 -85.53 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.51 179.737 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -52.55 -18.27 1.64 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.755 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.71 13.27 2.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 110.483 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.74 21.59 6.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.6 m 60.02 76.36 0.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.993 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 64.35 36.25 92.97 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.266 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.3 113.04 15.75 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 120.943 0.401 . . . . 0.0 110.919 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.439 ' HA ' ' HB3' ' A' ' 99' ' ' LYS . 58.8 m -65.79 145.04 56.46 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.513 0.673 . . . . 0.0 111.033 -179.449 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.614 HG21 HG22 ' A' ' 97' ' ' ILE . 1.9 t -142.43 142.3 27.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.166 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.74 149.53 14.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.202 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.0 -12.96 58.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.248 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -84.56 -16.26 42.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.003 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.73 ' HG3' HD12 ' A' ' 96' ' ' LEU . 5.6 tt0 -79.74 -47.24 15.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.969 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.492 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.86 -48.25 7.96 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 48.5 tttt -70.08 -46.92 63.88 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -66.48 -35.91 81.44 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.0 0.371 . . . . 0.0 112.0 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -69.05 -47.59 64.96 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.417 HD11 ' HA ' ' A' ' 95' ' ' THR . 0.4 OUTLIER -81.69 14.97 2.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.527 -179.234 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.88 179.771 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.449 0.166 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -57.56 -29.41 84.91 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.528 2.152 . . . . 0.0 112.37 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.45 -28.12 65.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.443 ' O ' HG23 ' A' ' 11' ' ' VAL . 18.9 mt-10 -79.84 -47.38 15.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.965 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -65.08 -27.4 68.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.63 ' O ' HG22 ' A' ' 13' ' ' VAL . 10.5 t80 -75.32 -51.89 12.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -59.96 -28.43 67.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 7' ' ' GLU . 80.1 t -83.6 -46.9 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.114 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 tt -56.68 -23.94 45.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.337 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 9' ' ' PHE . 12.4 m -94.22 -47.39 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.49 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.411 ' N ' HG23 ' A' ' 13' ' ' VAL . 11.2 tttm -86.2 52.07 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.14 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.433 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 2.2 mm100 -116.26 -48.32 2.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.022 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER 172.91 -34.95 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.734 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.488 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -167.74 143.76 4.03 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.241 -179.57 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 17' ' ' LYS . . . 174.71 -25.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.98 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 t 70.33 119.78 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.561 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -56.39 -36.64 69.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.326 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -48.94 -60.35 2.83 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -55.82 -50.75 69.67 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.59 -32.6 73.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.433 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.419 ' HB2' ' HZ ' ' A' ' 53' ' ' PHE . 6.1 p -69.65 -54.0 16.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.437 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -54.36 -46.45 72.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.557 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -58.88 -48.96 79.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -56.71 -49.3 75.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.96 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.2 tp -60.69 -36.55 71.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.201 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -64.41 -45.86 85.77 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.47 -44.49 89.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.774 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.1 mt -57.34 -50.39 77.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.148 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.531 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -54.14 -44.78 71.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.643 179.389 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -59.31 -45.92 89.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.199 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -55.37 -31.55 61.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.725 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 32' ' ' GLU . 4.3 mt -76.56 -18.56 58.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.3 -5.7 11.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.782 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.09 110.76 15.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.555 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -76.99 61.98 2.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.327 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.529 ' HB2' ' HB2' ' A' ' 42' ' ' TYR . 2.6 mt-10 -107.44 170.28 8.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.694 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.504 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 27.0 m -81.19 -49.68 1.0 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.927 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.504 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 93.5 Cg_endo -78.29 -0.51 10.77 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.208 1.939 . . . . 0.0 112.783 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.529 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 1.6 m-85 -85.8 -31.28 22.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.244 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -76.04 -23.45 55.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.897 0.38 . . . . 0.0 110.645 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 57.9 mtt -66.68 -33.53 75.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.389 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -75.89 -29.22 58.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.567 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.4 ' HB2' ' HE1' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -66.38 -51.19 59.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.191 179.747 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mt -60.07 -41.26 85.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.365 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.2 -22.98 66.36 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.948 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 m -85.74 -46.58 10.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.194 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.68 -21.18 28.0 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-O 120.993 0.425 . . . . 0.0 110.245 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.57 ' HE ' HD11 ' A' ' 94' ' ' ILE . 4.4 mtt180 -77.84 -54.18 6.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.036 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.18 -32.42 73.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.83 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.419 ' HZ ' ' HB2' ' A' ' 24' ' ' SER . 0.2 OUTLIER -73.9 -57.13 4.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.951 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.405 ' HG3' ' CZ ' ' A' ' 66' ' ' PHE . 19.8 mtp-105 -54.69 -34.53 62.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.995 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -68.59 -56.98 6.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.485 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -64.84 -23.74 67.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.697 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.567 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.68 -61.21 1.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 111.684 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.504 HG12 HG13 ' A' ' 97' ' ' ILE . 57.8 mt -56.53 -40.89 71.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.664 -179.244 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.495 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 1.0 OUTLIER -53.65 -46.97 70.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.858 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.495 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 18.8 p90 -174.65 89.93 0.06 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.142 0.496 . . . . 0.0 111.244 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.567 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -176.9 -98.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.336 179.66 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -132.62 65.08 1.59 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.024 0.44 . . . . 0.0 110.73 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.73 -32.89 32.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.556 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -78.33 -23.84 46.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.814 0.34 . . . . 0.0 111.221 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 -65.53 -24.69 67.18 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.492 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -89.5 -43.51 10.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.213 179.663 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -66.67 -18.07 65.17 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.628 0.727 . . . . 0.0 109.369 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -77.29 -57.83 3.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.184 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -64.65 -27.35 68.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.583 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.736 HD13 HD13 ' A' ' 96' ' ' LEU . 1.5 mt -69.22 -49.21 58.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.325 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.404 ' HA ' ' HZ ' ' A' ' 115' ' ' PHE . 42.5 mttt -54.68 -40.51 69.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.657 179.347 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.9 -44.27 32.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.407 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.71 ' O ' HG13 ' A' ' 77' ' ' VAL . 13.0 tp -57.59 -47.51 81.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -57.04 -54.44 46.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.274 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.522 ' O ' HD12 ' A' ' 79' ' ' ILE . 12.1 pt-20 -64.95 -33.41 75.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.231 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -66.25 -58.07 6.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.995 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.71 HG13 ' O ' ' A' ' 73' ' ' LEU . 1.5 m -65.88 -18.19 23.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.681 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.57 -56.1 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.328 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.522 HD12 ' O ' ' A' ' 75' ' ' GLU . 3.3 mt -77.5 56.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.0 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.11 114.14 0.05 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.363 0.601 . . . . 0.0 111.72 178.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.415 ' HB2' ' HA ' ' A' ' 77' ' ' VAL . 2.6 mt-30 169.56 -85.16 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.678 179.43 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.61 73.36 1.34 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -71.98 -15.78 62.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.652 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -65.33 -41.59 93.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.431 ' O ' HG23 ' A' ' 89' ' ' VAL . 27.5 t80 -63.22 -24.77 68.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.769 0.318 . . . . 0.0 110.646 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.421 ' O ' HG12 ' A' ' 90' ' ' VAL . 55.4 t-105 -78.4 -48.76 14.81 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.539 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -63.35 -19.78 64.93 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.294 0.569 . . . . 0.0 109.816 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 59.9 mt -85.56 -61.21 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.955 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 85' ' ' PHE . 40.1 t -48.92 -31.21 3.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.493 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 91' ' ' GLN . 14.4 p -78.7 -48.9 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.805 0.336 . . . . 0.0 110.447 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.503 ' N ' HG13 ' A' ' 90' ' ' VAL . 25.6 tt0 -55.17 -36.34 65.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.742 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.504 ' HB3' HG12 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -67.21 2.98 1.33 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.386 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.14 -1.73 73.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.265 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.57 HD11 ' HE ' ' A' ' 51' ' ' ARG . 12.1 mm -61.79 130.64 26.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 117.099 0.45 . . . . 0.0 110.777 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.559 ' HA ' HD11 ' A' ' 116' ' ' LEU . 42.3 p -119.38 145.81 45.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.369 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.736 HD13 HD13 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -48.63 172.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.62 179.578 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.675 HG22 HG21 ' A' ' 107' ' ' VAL . 1.7 mp -65.93 109.98 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.362 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.446 ' HB ' ' HG3' ' A' ' 101' ' ' GLU . 0.2 OUTLIER -91.33 134.82 34.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.54 -179.619 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.57 ' HB2' ' HA ' ' A' ' 105' ' ' SER . 0.0 OUTLIER -46.43 -52.49 12.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.712 179.51 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -62.94 -26.51 68.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.513 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.446 ' HG3' ' HB ' ' A' ' 98' ' ' THR . 8.3 mt-10 -76.84 -15.95 59.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.402 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.27 14.54 19.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.372 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 49.82 15.19 0.15 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.923 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -132.41 -6.88 2.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.594 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.57 ' HA ' ' HB2' ' A' ' 99' ' ' LYS . 11.2 t 54.12 47.43 23.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.769 0.319 . . . . 0.0 111.043 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.554 ' O ' HG23 ' A' ' 107' ' ' VAL . 2.8 t -123.3 89.71 3.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.519 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.675 HG21 HG22 ' A' ' 97' ' ' ILE . 0.9 OUTLIER -173.09 148.64 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.377 179.372 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.9 153.41 20.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.089 0.471 . . . . 0.0 112.072 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.04 -12.82 60.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.753 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.417 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 38.5 mt-10 -81.49 -17.05 49.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.602 -179.292 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.7 ' HG3' HD12 ' A' ' 96' ' ' LEU . 5.3 tt0 -86.8 -48.71 7.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.535 -179.109 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.492 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.7 -36.33 17.45 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -178.322 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -87.07 -47.59 8.79 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 2.6 tmtt? -63.12 -33.49 75.56 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -178.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.404 ' HZ ' ' HA ' ' A' ' 71' ' ' LYS . 8.7 m-85 -71.02 -47.2 60.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.691 0.281 . . . . 0.0 111.567 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.559 HD11 ' HA ' ' A' ' 95' ' ' THR . 0.5 OUTLIER -83.63 19.93 1.52 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.291 -179.593 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.901 179.693 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 CA--C 1.529 0.16 0 CA-C-O 120.445 0.164 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.97 -35.89 97.8 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.492 2.128 . . . . 0.0 112.361 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.01 -38.0 82.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.229 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.554 ' O ' HG22 ' A' ' 11' ' ' VAL . 43.8 mt-10 -69.88 -49.21 54.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.135 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -58.31 -34.77 70.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.981 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.583 ' O ' HG22 ' A' ' 13' ' ' VAL . 7.4 t80 -74.1 -46.34 43.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.605 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -58.2 -40.11 80.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.467 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 7' ' ' GLU . 16.3 m -75.49 -42.79 42.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.388 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.452 ' HG ' ' HB3' ' A' ' 17' ' ' LYS . 2.1 tp -56.12 -34.68 66.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 9' ' ' PHE . 35.6 m -95.44 -13.34 8.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.277 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.542 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 2.0 tttm -65.06 -37.21 86.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.863 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.575 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 7.0 pt20 -94.5 -50.44 5.21 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.578 -179.291 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HB3' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER 135.67 28.04 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.836 0 O-C-N 124.371 1.045 . . . . 0.0 110.105 179.685 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.452 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -54.39 -81.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.143 -179.252 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.66 -78.16 0.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.341 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.427 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 3.0 t 163.26 -69.4 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.487 -179.472 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.427 ' HB2' ' O ' ' A' ' 19' ' ' SER . 7.6 t80 176.25 -51.65 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.645 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.43 -59.44 4.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.088 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.88 -50.53 68.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.728 0.299 . . . . 0.0 111.611 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.06 -32.2 73.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.1 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.5 m -68.37 -54.17 19.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.422 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -53.71 -44.75 70.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.401 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -61.47 -47.09 87.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.753 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.506 HD13 ' HD2' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -57.63 -46.93 83.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.036 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -34.65 71.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -65.45 -45.64 82.98 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.985 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -58.89 -45.23 90.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.885 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.75 -49.73 79.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.167 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.593 ' HA ' HD12 ' A' ' 35' ' ' LEU . 35.6 mt-10 -53.42 -45.53 69.41 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.623 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -59.23 -45.47 91.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.194 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -55.45 -31.18 61.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.494 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' A' ' 32' ' ' GLU . 2.6 mt -81.96 -20.01 39.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.786 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.61 -1.24 18.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.029 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.55 128.72 27.71 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -77.02 118.04 19.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.541 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -166.44 153.0 9.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.785 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.549 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 4.3 m -81.06 -50.17 0.99 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.659 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.549 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 11.5 Cg_exo -70.95 -8.38 23.48 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.364 2.043 . . . . 0.0 112.35 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -84.32 -43.72 14.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.091 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -63.91 -29.37 70.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.681 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 62.4 mtt -66.21 -32.33 73.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.365 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -76.15 -27.01 56.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.537 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.53 -52.29 33.72 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.918 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.474 ' O ' HG22 ' A' ' 50' ' ' ILE . 12.4 mt -59.6 -41.41 84.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.178 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.31 -24.43 66.42 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.88 179.194 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.74 -48.48 9.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.495 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.474 HG22 ' O ' ' A' ' 47' ' ' ILE . 11.6 tt -61.42 -23.45 30.55 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.098 0 CA-C-O 120.99 0.424 . . . . 0.0 110.623 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.3 mtm-85 -75.7 -54.64 6.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.055 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.1 -30.39 70.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.666 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.506 ' HD2' HD13 ' A' ' 27' ' ' LEU . 15.2 t80 -72.67 -57.57 4.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.376 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -59.67 -33.21 71.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.404 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 8.8 mt-10 -66.53 -58.62 4.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.6 -24.32 66.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.074 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.517 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -87.02 -61.52 1.71 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -178.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.767 HD13 ' HA ' ' A' ' 63' ' ' GLU . 34.9 mm -54.59 -40.98 52.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.27 -179.229 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 7.8 mmtt -52.75 -47.19 67.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.972 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -173.26 84.1 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.778 0.323 . . . . 0.0 111.643 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.517 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 8.1 t -171.9 -98.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.641 179.538 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -129.98 66.33 1.48 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.861 0.362 . . . . 0.0 111.049 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.767 ' HA ' HD13 ' A' ' 58' ' ' ILE . 5.9 pt-20 -51.71 -35.33 42.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.675 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.587 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 22.0 tt0 -65.72 -19.62 65.97 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.92 0.391 . . . . 0.0 111.185 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -74.78 -21.25 59.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.049 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.566 ' CD2' HD13 ' A' ' 97' ' ' ILE . 8.1 t80 -86.41 -48.65 8.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.189 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.587 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.7 OUTLIER -63.36 -18.31 63.53 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 178.554 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -77.06 -57.53 3.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.676 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -62.65 -33.74 75.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.162 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.844 HD13 HD13 ' A' ' 96' ' ' LEU . 12.9 mt -65.26 -51.59 59.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.608 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -53.26 -45.48 68.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.578 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.63 -43.49 80.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.611 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 tp -50.66 -42.06 56.19 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.462 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.417 ' HA ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -65.06 -49.44 70.07 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.255 179.14 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.74 -27.97 69.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.234 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.694 ' HA ' HD12 ' A' ' 79' ' ' ILE . 35.6 mttt -81.59 -54.15 5.65 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.117 0.484 . . . . 0.0 110.522 -179.271 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.417 HG12 ' HA ' ' A' ' 74' ' ' GLN . 12.9 p -53.61 -29.71 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.44 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.41 ' C ' ' H ' ' A' ' 80' ' ' LYS . 7.1 mt-10 -62.51 -49.13 76.57 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.694 HD12 ' HA ' ' A' ' 76' ' ' LYS . 4.5 mt -57.39 -7.74 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.64 178.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.41 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 79.75 114.48 0.06 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.22 179.411 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 179.15 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.477 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.413 ' C ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -133.37 41.71 3.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.79 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -59.48 -17.07 28.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.844 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.27 -38.09 19.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.057 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -62.72 -27.49 69.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.166 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.488 ' HA ' HG12 ' A' ' 89' ' ' VAL . 48.1 t-105 -80.66 -49.84 10.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.752 0.311 . . . . 0.0 110.802 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -62.02 -22.03 65.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.003 0.43 . . . . 0.0 110.259 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 61.1 mt -86.42 -58.89 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.837 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' ' 86' ' ' TRP . 5.4 p -48.21 -33.18 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.559 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.484 HG13 ' N ' ' A' ' 91' ' ' GLN . 9.9 p -78.78 -47.11 23.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.859 0.361 . . . . 0.0 110.327 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.484 ' N ' HG13 ' A' ' 90' ' ' VAL . 1.3 mt-30 -54.69 -38.55 67.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.705 178.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.06 -0.21 5.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.05 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.7 8.02 87.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.975 -0.631 . . . . 0.0 113.208 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.476 HD12 HG23 ' A' ' 89' ' ' VAL . 44.9 mt -67.75 130.53 33.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 117.168 0.484 . . . . 0.0 110.73 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.1 p -94.86 -166.03 1.4 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.355 -179.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.844 HD13 HD13 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -109.07 8.58 26.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.96 -179.189 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.566 HD13 ' CD2' ' A' ' 66' ' ' PHE . 0.7 OUTLIER 82.07 128.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.471 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.563 ' H ' ' HG3' ' A' ' 101' ' ' GLU . 0.2 OUTLIER -110.05 147.47 33.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.561 -179.419 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.495 ' HG3' ' H ' ' A' ' 100' ' ' GLU . 5.9 ptpt -36.97 -67.54 0.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 179.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.495 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 3.5 tt0 -57.22 -14.58 4.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -177.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.563 ' HG3' ' H ' ' A' ' 98' ' ' THR . 3.2 mt-10 -60.74 -3.45 0.73 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.987 0.422 . . . . 0.0 110.696 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -118.44 -159.79 0.77 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.44 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.8 t -78.64 -0.46 30.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.725 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.93 67.41 0.16 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.08 -0.581 . . . . 0.0 111.844 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.4 m -126.94 125.22 41.17 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 121.132 0.491 . . . . 0.0 111.715 -179.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.6 m -56.83 138.01 54.04 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.052 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.425 ' N ' ' HB3' ' A' ' 99' ' ' LYS . 23.0 t -141.38 118.5 7.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.866 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.515 HG23 ' H ' ' A' ' 111' ' ' GLU . 1.1 t -47.86 150.51 1.08 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.832 -178.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.12 -11.69 59.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.149 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -79.94 -16.65 54.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.965 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.515 ' H ' HG23 ' A' ' 108' ' ' THR . 6.2 tt0 -80.98 -51.26 8.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.146 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.544 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -86.84 -40.6 14.76 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -178.162 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -80.61 -48.51 12.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -33.25 75.43 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.151 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.442 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . 16.7 m-85 -75.3 -47.97 25.37 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' ' 112' ' ' ALA . 0.5 OUTLIER -74.86 -35.35 62.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.642 -0.253 . . . . 0.0 111.601 -178.861 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.264 -179.859 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.408 ' HB3' ' HB2' ' A' ' 7' ' ' GLU . 2.9 t-20 . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.405 0.145 . . . . 0.0 110.637 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.439 ' O ' ' HB3' ' A' ' 9' ' ' PHE . 32.1 Cg_exo -58.85 -33.68 98.67 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.471 2.114 . . . . 0.0 112.436 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.63 -18.67 37.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.94 0.4 . . . . 0.0 111.26 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 7.9 mt-10 -85.13 -37.15 20.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.096 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.434 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -85.2 -29.3 24.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.494 -179.66 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.551 ' O ' HG22 ' A' ' 13' ' ' VAL . 10.1 t80 -76.02 -46.71 27.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.232 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -63.37 -40.38 97.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.676 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.1 p -68.18 -37.32 77.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.33 0.492 . . . . 0.0 112.33 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 9' ' ' PHE . 0.7 OUTLIER -76.76 -26.19 54.25 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.136 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 9' ' ' PHE . 33.0 m -95.01 -9.73 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.662 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -100.47 -24.19 14.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.311 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.502 ' HG3' ' HG2' ' A' ' 16' ' ' LYS . 3.4 pt20 -54.98 -32.91 62.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.924 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.601 ' HG3' ' H ' ' A' ' 17' ' ' LYS . 9.3 pttp -169.54 -58.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.99 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.601 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER 176.6 -23.48 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.177 -179.649 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 37.26 -97.58 0.02 OUTLIER 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.738 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.6 p -172.12 109.52 0.24 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.81 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -74.96 51.95 0.53 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.29 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -136.26 -58.46 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.53 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.35 -40.57 67.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.461 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.46 ' HB2' HD11 ' A' ' 12' ' ' LEU . . . -66.48 -33.64 76.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.883 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.2 m -76.13 -56.61 4.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.416 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -50.9 -44.64 60.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.748 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -63.36 -43.22 98.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.384 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.446 HD13 ' CD2' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -56.85 -47.7 79.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.486 179.497 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.53 -34.3 66.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.709 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -64.97 -44.22 90.07 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.754 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -60.11 -45.21 93.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.712 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' A' ' 49' ' ' CYS . 94.0 mt -56.69 -50.1 75.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.016 179.032 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 35' ' ' LEU . 32.7 mt-10 -54.62 -44.04 72.77 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.579 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -59.24 -45.65 90.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.124 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -55.5 -31.98 62.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.789 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 32' ' ' GLU . 11.5 mt -73.74 -18.4 60.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -66.66 -8.49 27.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.607 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.05 114.18 16.75 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.392 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -76.97 60.6 1.83 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.437 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.505 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 6.1 mm-40 -118.7 141.0 49.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.65 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.53 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 3.1 m -57.89 -49.53 93.16 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.95 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.53 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 32.6 Cg_exo -59.56 -19.37 52.05 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 122.273 1.982 . . . . 0.0 112.495 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -86.17 -38.4 17.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.214 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -67.97 -24.3 65.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.781 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 60.4 mtt -69.73 -30.32 67.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.428 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -76.16 -29.74 57.86 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.662 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.2 m -68.21 -51.64 43.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.259 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.475 HD11 HG21 ' A' ' 88' ' ' ILE . 5.4 mt -58.5 -40.99 80.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.14 178.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -24.27 67.63 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.036 179.175 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.426 ' HB3' HD11 ' A' ' 31' ' ' ILE . 3.1 m -80.01 -38.71 31.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.045 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -72.95 -25.24 21.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.569 179.313 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.27 -30.67 48.66 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.637 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.89 -35.85 31.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.087 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.446 ' CD2' HD13 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -73.69 -48.6 30.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.616 179.519 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -53.28 -41.9 66.04 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.311 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 6.8 tt0 -67.17 -49.42 64.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.42 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.87 -30.56 71.19 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.54 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -86.09 -57.35 3.06 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.467 HD11 HD11 ' A' ' 97' ' ' ILE . 62.3 mt -55.19 -43.45 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.269 -179.242 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 2.2 mmtp -50.43 -50.52 51.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.969 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -175.14 84.73 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 120.797 0.332 . . . . 0.0 111.708 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.54 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 4.0 t -169.71 -97.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.603 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.713 ' HB3' ' HB3' ' A' ' 65' ' ' ARG . 2.5 mm-40 -133.92 64.29 1.61 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.017 0.437 . . . . 0.0 111.05 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.466 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -54.13 -34.39 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.305 179.633 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.592 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 58.4 mt-30 -71.88 -23.13 61.45 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.55 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.713 ' HB3' ' HB3' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -73.17 -17.59 61.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.171 0.51 . . . . 0.0 109.846 179.625 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.514 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -87.93 -45.21 10.44 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.171 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.592 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.7 OUTLIER -70.9 -20.93 62.44 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.085 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -69.48 -58.27 4.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.05 178.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -68.83 -26.18 65.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.95 178.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.863 HD13 HD13 ' A' ' 96' ' ' LEU . 2.6 mt -66.35 -47.57 73.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.432 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.4 ' HA ' ' HZ ' ' A' ' 115' ' ' PHE . 88.4 mttt -58.56 -40.7 83.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.82 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.46 -45.53 45.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.034 0.445 . . . . 0.0 111.261 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.765 ' O ' HG13 ' A' ' 77' ' ' VAL . 13.0 tp -57.7 -51.74 68.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -51.24 -51.07 57.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.343 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.482 ' O ' HD12 ' A' ' 79' ' ' ILE . 31.3 mt-10 -64.01 -44.51 92.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -58.68 -54.64 44.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.272 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.765 HG13 ' O ' ' A' ' 73' ' ' LEU . 1.1 m -67.48 -27.73 39.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.765 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.14 -51.07 70.8 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.849 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.482 HD12 ' O ' ' A' ' 75' ' ' GLU . 3.7 mt -64.1 -82.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.806 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -153.41 108.84 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -177.16 -80.63 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.246 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.4 71.55 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.945 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -70.95 -25.14 62.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.574 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.93 -39.72 95.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.712 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.445 ' O ' HG23 ' A' ' 89' ' ' VAL . 28.6 t80 -63.56 -24.61 67.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.556 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.426 ' O ' HG12 ' A' ' 90' ' ' VAL . 48.9 t-105 -79.01 -50.79 10.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.674 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -63.32 -18.59 63.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.211 0.529 . . . . 0.0 109.967 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.475 HG21 HD11 ' A' ' 47' ' ' ILE . 53.3 mt -85.76 -61.94 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.106 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 85' ' ' PHE . 53.4 t -50.4 -28.99 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.515 179.583 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.523 HG13 ' N ' ' A' ' 91' ' ' GLN . 13.2 p -81.78 -49.9 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.649 0.261 . . . . 0.0 110.623 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.523 ' N ' HG13 ' A' ' 90' ' ' VAL . 2.7 mm-40 -53.36 -31.55 45.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.57 9.75 1.0 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.379 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.63 -7.34 26.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.868 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.414 ' H ' HG13 ' A' ' 94' ' ' ILE . 9.3 mt -67.41 138.93 21.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.764 0.316 . . . . 0.0 110.722 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.44 ' HA ' HD11 ' A' ' 116' ' ' LEU . 1.5 t -130.91 164.87 24.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.996 0.427 . . . . 0.0 111.513 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.863 HD13 HD13 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -57.14 176.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.398 -179.777 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.467 HD11 HD11 ' A' ' 58' ' ' ILE . 1.2 mp -71.5 120.76 20.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.703 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.81 146.84 28.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.552 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.439 ' HG3' ' H ' ' A' ' 100' ' ' GLU . 5.0 ptpt -40.66 -79.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.349 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.527 ' C ' ' H ' ' A' ' 102' ' ' ALA . 12.5 tt0 -56.68 -21.51 28.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.156 -178.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.51 3.81 0.07 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.729 0.3 . . . . 0.0 111.351 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.527 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -144.64 -49.24 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.395 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 t -178.56 -175.09 0.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.162 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -72.19 56.6 1.5 Allowed Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.32 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.6 m -115.75 128.46 55.88 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 120.805 0.336 . . . . 0.0 110.758 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.8 m -59.33 129.94 44.48 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.425 0.631 . . . . 0.0 111.241 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.3 t -134.03 125.42 48.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.608 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -47.86 148.29 1.68 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.884 -178.187 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.24 -12.76 56.46 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.123 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.461 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 24.9 mt-10 -84.36 -17.06 40.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.408 -178.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.746 ' HG3' HD12 ' A' ' 96' ' ' LEU . 6.3 tt0 -82.96 -46.7 12.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.16 -179.045 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.438 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.71 -42.27 12.76 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -178.519 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.64 -46.9 11.83 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -177.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 6.4 tmtm? -64.0 -39.8 94.92 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.245 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.4 ' HZ ' ' HA ' ' A' ' 71' ' ' LYS . 8.0 m-85 -64.25 -47.15 80.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.682 0.277 . . . . 0.0 111.593 -179.463 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.44 HD11 ' HA ' ' A' ' 95' ' ' THR . 3.8 mp -95.4 35.28 1.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.253 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.019 179.743 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.444 0.164 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -49.85 -31.97 28.26 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.636 2.224 . . . . 0.0 112.714 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.36 -38.89 85.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.208 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.458 ' O ' HG22 ' A' ' 11' ' ' VAL . 50.1 mt-10 -77.39 -42.49 36.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -62.53 -33.26 74.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.528 ' HD1' ' HB1' ' A' ' 23' ' ' ALA . 1.0 OUTLIER -77.31 -44.16 30.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.591 179.862 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.43 HH21 ' HA ' ' A' ' 52' ' ' ALA . 45.6 mtt180 -61.33 -35.18 76.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.441 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 7' ' ' GLU . 30.4 m -80.0 -40.22 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.628 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.33 -27.37 69.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 111.041 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 9' ' ' PHE . 25.7 m -95.62 -4.46 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.3 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -119.94 44.88 2.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.421 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 10.9 mm100 -116.13 -47.9 2.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.83 0.348 . . . . 0.0 110.783 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.495 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER 176.82 -36.38 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.113 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.495 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 89.2 mttt -156.6 151.93 26.58 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.71 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 179.13 -28.39 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.824 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 t 63.68 130.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.036 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -79.9 58.72 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.61 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -132.94 -64.73 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.068 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.53 -42.3 78.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.528 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -67.44 -31.34 71.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.49 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -76.52 -58.14 3.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.687 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -51.97 -45.29 64.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.924 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -61.49 -43.73 98.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.577 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.419 HD12 ' HD2' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -57.76 -46.45 84.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.678 179.515 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 24' ' ' SER . 1.8 mt -62.41 -41.98 93.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.835 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -60.72 -44.73 96.26 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.332 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -57.67 -46.91 83.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.083 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.4 mt -58.46 -48.59 84.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.333 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -53.65 -45.32 70.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.675 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -59.37 -45.37 91.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.206 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -56.61 -28.81 61.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.621 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -81.99 -18.67 42.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.687 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -75.53 -0.2 19.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.006 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.31 126.32 29.47 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.018 0.437 . . . . 0.0 110.781 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -79.69 117.21 20.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.629 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -165.19 158.89 16.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.536 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.524 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 7.7 m -81.18 -49.44 1.01 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.663 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.524 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 5.8 Cg_exo -74.36 -6.44 18.37 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.501 2.134 . . . . 0.0 112.389 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -83.14 -42.57 17.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.148 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -70.4 -33.78 71.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 47.8 mtt -59.87 -33.64 72.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.062 0.458 . . . . 0.0 110.067 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -78.41 -25.98 46.25 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.531 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -66.17 -50.86 62.46 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.748 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.425 HD11 HG21 ' A' ' 88' ' ' ILE . 7.6 mt -59.66 -41.0 83.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.914 178.547 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.42 -24.37 66.48 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.947 179.166 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -84.55 -47.14 10.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.138 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.6 tt -62.35 -23.92 33.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.394 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -54.75 6.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.199 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.43 ' HA ' HH21 ' A' ' 10' ' ' ARG . . . -58.53 -33.03 69.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.917 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.419 ' HD2' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -78.03 -56.6 4.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.361 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.652 HH21 HD12 ' A' ' 97' ' ' ILE . 8.2 mtp-105 -52.01 -35.2 46.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.159 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -70.98 -56.93 5.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.487 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -62.65 -24.2 67.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.951 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.559 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -87.23 -59.55 2.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.848 0.356 . . . . 0.0 111.569 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.53 HG23 ' HB2' ' A' ' 102' ' ' ALA . 72.0 mt -55.72 -43.8 74.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.306 -179.43 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.44 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 2.2 mmtm -51.28 -46.73 62.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.998 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.44 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 22.4 p90 -177.45 91.42 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.002 0.429 . . . . 0.0 111.299 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.559 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 7.0 t -176.92 -98.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.383 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -132.11 64.89 1.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.017 0.437 . . . . 0.0 110.753 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -52.12 -32.63 36.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.584 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -78.98 -23.75 44.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.857 0.361 . . . . 0.0 111.212 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -64.99 -24.57 67.55 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.452 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -89.84 -42.21 11.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.272 179.726 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -68.0 -18.38 64.7 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.589 0.709 . . . . 0.0 109.122 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -76.71 -57.79 3.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.013 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -63.26 -27.03 69.06 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.298 178.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.915 HD13 HD13 ' A' ' 96' ' ' LEU . 2.2 mt -68.97 -48.91 61.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.812 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.408 ' HA ' ' HZ ' ' A' ' 115' ' ' PHE . 52.7 mttt -52.6 -42.56 64.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.05 179.051 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.66 -42.43 61.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.622 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.549 ' O ' HG12 ' A' ' 77' ' ' VAL . 29.1 tp -51.71 -41.49 61.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.34 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.426 ' HA ' HG12 ' A' ' 77' ' ' VAL . 3.0 tm0? -62.03 -49.72 74.88 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.339 0.59 . . . . 0.0 110.176 178.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.43 -26.22 68.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.939 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.747 ' HA ' HD12 ' A' ' 79' ' ' ILE . 74.6 tttt -81.5 -53.44 6.28 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.463 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 73' ' ' LEU . 7.2 p -58.72 -27.14 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.257 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.504 ' C ' ' H ' ' A' ' 80' ' ' LYS . 4.8 mt-10 -61.37 -50.03 74.54 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.747 HD12 ' HA ' ' A' ' 76' ' ' LYS . 3.1 mt -56.28 -2.71 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.342 178.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.504 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.4 OUTLIER 78.94 118.3 0.06 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.424 0.631 . . . . 0.0 111.349 179.45 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.419 ' HB3' HD23 ' A' ' 82' ' ' LEU . 3.8 mt-30 177.59 -37.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.479 ' HG ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -141.81 45.06 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.767 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -61.48 -29.24 69.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -70.89 -35.58 72.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.437 ' O ' HG23 ' A' ' 89' ' ' VAL . 38.6 t80 -64.4 -26.13 68.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.874 0.368 . . . . 0.0 110.422 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.423 ' O ' HG12 ' A' ' 90' ' ' VAL . 32.4 t-105 -77.92 -51.72 9.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.489 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -62.23 -18.87 62.35 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.23 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.425 HG21 HD11 ' A' ' 47' ' ' ILE . 40.3 mt -85.45 -60.68 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.06 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 85' ' ' PHE . 50.0 t -50.24 -32.54 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.294 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 91' ' ' GLN . 13.9 p -78.41 -49.23 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.712 0.291 . . . . 0.0 110.49 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.503 ' N ' HG13 ' A' ' 90' ' ' VAL . 40.4 tt0 -52.27 -33.54 42.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.006 178.622 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.23 4.88 3.21 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.03 6.38 79.02 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.127 -0.559 . . . . 0.0 113.083 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.9 mt -75.79 137.1 23.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.756 0.312 . . . . 0.0 110.874 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.574 ' HA ' HD11 ' A' ' 116' ' ' LEU . 15.2 p -125.42 160.08 30.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.21 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.915 HD13 HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -52.58 176.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.546 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.652 HD12 HH21 ' A' ' 54' ' ' ARG . 1.3 mp -68.82 116.03 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.641 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.32 144.66 31.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.332 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.55 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 0.9 OUTLIER -53.68 -47.43 70.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.616 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -52.69 -33.13 46.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.901 0.381 . . . . 0.0 110.71 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -78.86 -29.9 44.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.491 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.53 ' HB2' HG23 ' A' ' 58' ' ' ILE . . . -155.77 142.59 18.91 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 102' ' ' ALA . 1.1 t 90.01 -69.68 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.106 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 124.67 84.94 0.61 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.78 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.456 ' N ' ' HB2' ' A' ' 99' ' ' LYS . 1.1 p 65.03 12.9 8.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.657 0.265 . . . . 0.0 111.26 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.668 ' O ' HG23 ' A' ' 107' ' ' VAL . 75.6 m -110.86 94.99 5.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.283 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 106' ' ' SER . 1.0 OUTLIER -177.91 146.22 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.883 179.66 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.52 150.28 36.61 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.05 -179.285 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.24 -12.79 59.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.306 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -84.39 -16.65 42.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.353 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.673 ' HG3' HD12 ' A' ' 96' ' ' LEU . 4.7 tt0 -82.79 -47.16 12.22 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.141 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.568 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.44 -42.86 12.5 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -178.396 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -80.48 -47.77 13.8 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -63.46 -34.18 77.19 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.408 ' HZ ' ' HA ' ' A' ' 71' ' ' LYS . 7.4 m-85 -69.28 -47.34 64.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.614 0.245 . . . . 0.0 111.543 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.574 HD11 ' HA ' ' A' ' 95' ' ' THR . 1.0 OUTLIER -85.4 10.79 11.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.739 0.304 . . . . 0.0 111.139 -179.784 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.956 179.78 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 120.427 0.156 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -51.13 -35.26 51.01 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.538 2.159 . . . . 0.0 112.449 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.91 -36.36 83.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.078 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.426 ' O ' HG12 ' A' ' 11' ' ' VAL . 2.3 mm-40 -74.66 -45.87 41.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.002 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -61.39 -32.35 72.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.548 ' HD1' ' HB1' ' A' ' 23' ' ' ALA . 6.5 t80 -76.6 -48.45 19.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.66 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -57.24 -36.66 71.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.3 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 7' ' ' GLU . 12.8 p -80.14 -40.59 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.285 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.406 HD23 ' HB2' ' A' ' 23' ' ' ALA . 1.3 tp -58.57 -31.8 68.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 9' ' ' PHE . 33.4 m -94.48 -5.43 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.377 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -118.55 36.91 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.226 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.419 ' HG3' ' HG2' ' A' ' 16' ' ' LYS . 14.0 pt20 -116.2 -38.1 3.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.959 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.702 ' HG3' ' H ' ' A' ' 17' ' ' LYS . 27.1 pttt -162.92 -72.3 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.702 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 6.2 tptp -174.94 75.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.781 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.98 1.31 36.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.233 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.2 m 62.2 134.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.475 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -78.0 63.04 2.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.762 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -141.53 -62.47 0.46 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.964 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -65.0 -46.05 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.548 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -70.79 -27.04 63.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.995 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.492 ' O ' HD12 ' A' ' 28' ' ' ILE . 44.2 m -75.48 -59.52 2.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.554 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -54.29 -40.77 68.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.855 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -62.8 -45.97 90.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.635 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -57.16 -44.28 83.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.666 179.645 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 24' ' ' SER . 1.5 mp -65.14 -42.34 94.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.757 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -43.59 98.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.427 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -48.42 81.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.195 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 28' ' ' ILE . 62.4 mt -54.05 -45.62 65.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.245 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.28 -27.9 63.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.378 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -67.16 -28.44 68.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.389 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -82.53 -26.5 32.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.083 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.476 HD21 HD13 ' A' ' 82' ' ' LEU . 1.0 OUTLIER -71.0 -18.38 62.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.488 179.526 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -73.77 -2.45 23.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.72 127.93 28.05 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.635 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -79.38 121.13 24.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.61 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -166.09 148.34 7.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.534 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.519 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 3.5 m -76.18 -49.44 3.18 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.616 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.519 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 12.1 Cg_exo -70.85 -5.68 17.43 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.397 2.064 . . . . 0.0 112.279 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -85.84 -41.01 15.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.135 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -62.21 -28.61 69.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.809 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 57.0 mtt -67.62 -32.6 73.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.298 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -73.75 -29.37 62.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.554 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.73 -52.25 27.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.124 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.45 ' O ' HG22 ' A' ' 50' ' ' ILE . 11.6 mt -58.87 -42.92 87.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.302 179.003 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -61.0 -25.06 66.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.048 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -82.93 -47.57 11.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.36 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.45 HG22 ' O ' ' A' ' 47' ' ' ILE . 3.7 tt -61.07 -26.1 38.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.445 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 mmt85 -75.75 -55.03 6.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.206 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.82 -35.65 66.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.916 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.2 -51.71 11.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.928 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.477 ' O ' HG23 ' A' ' 58' ' ' ILE . 4.9 mtp-105 -45.93 -43.97 14.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.069 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -70.55 -45.57 65.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.702 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -63.4 -27.54 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.747 0.308 . . . . 0.0 111.36 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.567 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.03 -55.79 3.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.1 -179.443 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.533 ' HB ' ' HB2' ' A' ' 102' ' ' ALA . 1.7 pp -55.27 -41.86 63.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.477 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.431 ' H ' HG13 ' A' ' 58' ' ' ILE . 30.4 mttp -50.66 -56.57 11.28 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.863 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -177.45 82.61 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.822 0.344 . . . . 0.0 111.489 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.567 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.6 OUTLIER -162.53 -96.0 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.31 179.675 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -134.04 58.34 1.77 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.931 0.396 . . . . 0.0 110.859 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.508 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 5.7 pt-20 -52.84 -42.45 65.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.843 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.518 ' C ' ' OD1' ' A' ' 67' ' ' ASN . 35.0 mt-30 -69.22 -13.84 62.63 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.4 ttt85 -81.94 -58.96 2.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.848 0.356 . . . . 0.0 110.338 178.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -47.96 -46.78 32.7 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.134 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.518 ' OD1' ' C ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -64.72 -53.35 48.65 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.385 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -41.93 -50.93 4.49 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.259 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -71.71 -31.86 67.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.431 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.814 HD13 HD13 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -60.25 -37.6 80.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.463 179.397 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -68.11 -36.09 79.2 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.142 0.496 . . . . 0.0 109.986 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.15 -41.67 66.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.778 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.729 ' O ' HG13 ' A' ' 77' ' ' VAL . 9.3 tp -63.62 -49.43 73.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.72 179.36 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.5 -51.76 65.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.22 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -62.28 -46.97 86.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.174 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -56.64 -57.98 10.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.332 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 73' ' ' LEU . 1.5 m -64.66 -27.36 42.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.819 0.343 . . . . 0.0 110.731 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.5 -51.53 69.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.363 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.6 mt -58.22 -86.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.004 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -149.82 99.11 2.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.021 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.26 -82.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.608 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.476 HD13 HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -137.69 73.53 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.814 179.688 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -72.49 -15.06 61.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.532 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.13 -43.74 66.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.514 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.553 ' O ' HG13 ' A' ' 89' ' ' VAL . 34.4 t80 -55.05 -36.04 65.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.58 ' HA ' HG22 ' A' ' 89' ' ' VAL . 68.1 t-105 -77.85 -43.3 30.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -63.56 -23.06 67.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.293 0.568 . . . . 0.0 109.832 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 55.8 mt -85.61 -62.43 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.31 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.58 HG22 ' HA ' ' A' ' 86' ' ' TRP . 33.5 m -51.14 -28.85 7.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.777 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.498 ' HB ' ' O ' ' A' ' 86' ' ' TRP . 0.5 OUTLIER -70.11 -51.65 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.709 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.473 ' N ' HG12 ' A' ' 90' ' ' VAL . 4.7 mm100 -59.0 -40.16 84.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.309 178.222 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.58 -5.88 6.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.617 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.03 31.56 28.48 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.706 -0.759 . . . . 0.0 113.411 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 28.2 mm -83.31 118.73 31.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.865 0.364 . . . . 0.0 110.331 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.458 ' HA ' HD11 ' A' ' 116' ' ' LEU . 13.9 t -101.64 -167.05 1.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.439 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.814 HD13 HD13 ' A' ' 70' ' ' LEU . 0.7 OUTLIER -110.98 170.11 8.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.313 -179.199 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.511 ' O ' HG22 ' A' ' 97' ' ' ILE . 1.6 mp -64.0 103.4 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.382 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.587 ' HA ' HG11 ' A' ' 107' ' ' VAL . 1.4 m -101.09 144.83 29.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.468 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.58 ' HB2' ' N ' ' A' ' 105' ' ' SER . 0.0 OUTLIER -43.32 -65.6 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.844 179.636 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.435 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 0.1 OUTLIER -51.56 -27.21 10.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.638 -179.458 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -78.59 -34.47 46.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.642 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.533 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . . . -125.34 -75.57 0.59 Allowed 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 33.5 t -109.35 91.58 3.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.861 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 106' ' ' SER . . . -33.88 132.52 0.38 Allowed Glycine 0 CA--C 1.52 0.358 0 CA-C-N 115.855 -0.611 . . . . 0.0 114.503 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.58 ' N ' ' HB2' ' A' ' 99' ' ' LYS . 16.2 m 62.09 -17.53 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.725 ' O ' HG23 ' A' ' 107' ' ' VAL . 0.4 OUTLIER -98.03 88.97 4.38 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.876 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 106' ' ' SER . 1.3 t 178.31 136.27 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.445 178.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.475 HG23 ' H ' ' A' ' 111' ' ' GLU . 12.0 t -74.78 150.6 39.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.173 0.511 . . . . 0.0 112.127 -179.011 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -77.05 -12.26 59.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.755 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.537 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 4.4 tt0 -83.95 -17.4 40.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.526 -179.004 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.475 ' H ' HG23 ' A' ' 108' ' ' THR . 5.5 tt0 -85.38 -48.6 8.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.308 -179.178 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.597 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.33 -38.77 15.94 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -178.222 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -87.19 -46.85 9.37 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.537 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 4.2 tmtt? -64.99 -27.7 69.01 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.234 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -73.11 -47.4 44.6 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.458 HD11 ' HA ' ' A' ' 95' ' ' THR . 1.0 OUTLIER -79.93 -20.65 45.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.748 0.309 . . . . 0.0 111.386 -179.426 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.096 179.831 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.354 0.121 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.493 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 48.8 Cg_exo -56.02 -27.78 66.01 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.455 2.104 . . . . 0.0 112.368 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.34 -33.74 71.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.164 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.492 ' O ' HG23 ' A' ' 11' ' ' VAL . 39.4 mt-10 -73.19 -53.56 10.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.247 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.493 ' OD1' ' HA ' ' A' ' 5' ' ' PRO . 0.6 OUTLIER -61.6 -26.09 67.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.846 -179.735 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.532 ' O ' HG22 ' A' ' 13' ' ' VAL . 42.8 t80 -73.86 -51.88 14.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.366 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -57.36 -36.87 71.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.64 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 7' ' ' GLU . 77.5 t -72.71 -46.36 54.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.686 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.3 tp -54.56 -31.72 57.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.418 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.571 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 16.1 m -94.18 -1.03 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 0.0 111.228 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -123.97 40.32 3.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.4 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -115.77 -47.16 2.81 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.006 0.431 . . . . 0.0 111.124 179.62 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.18 -75.7 0.2 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.477 -178.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -163.13 90.16 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.174 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.571 ' HB3' ' HA ' ' A' ' 13' ' ' VAL . . . -103.6 -9.67 19.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 m 55.49 -92.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.455 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 175.69 50.74 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.72 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -127.66 -70.91 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.19 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -60.24 -46.48 89.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.27 -26.25 63.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.311 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.4 -58.94 2.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.823 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.435 ' O ' HG22 ' A' ' 28' ' ' ILE . 25.4 m-80 -54.77 -41.79 70.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.722 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -60.04 -48.08 83.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.449 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -57.04 -47.6 80.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.629 179.501 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.446 ' HA ' HD12 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -62.59 -33.55 60.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.652 179.82 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.59 -44.97 85.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.915 179.317 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.85 -43.76 97.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.628 179.178 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' A' ' 28' ' ' ILE . 91.1 mt -56.76 -50.14 75.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.999 179.009 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.579 ' HA ' HD12 ' A' ' 35' ' ' LEU . 33.6 mt-10 -53.98 -44.0 70.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.451 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -59.32 -45.64 90.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.958 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -54.19 -31.9 54.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.335 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 32' ' ' GLU . 3.1 mt -79.24 -26.09 42.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.698 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.62 -46.29 84.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.439 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -57.47 -71.38 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.898 179.494 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 37' ' ' THR . 33.9 m120 92.44 61.08 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 O-C-N 123.909 0.756 . . . . 0.0 110.878 179.358 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.525 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 1.6 mm-40 -127.15 179.85 5.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.552 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.567 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 85.9 m -81.18 -48.77 1.05 Allowed Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.567 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 9.0 Cg_exo -72.18 -10.37 25.74 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.388 2.059 . . . . 0.0 112.327 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -86.79 -37.13 18.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.233 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -68.05 -25.06 65.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.934 0.397 . . . . 0.0 110.658 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 64.0 mtt -68.47 -31.51 70.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.142 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.16 -27.57 53.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.536 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 m -65.38 -52.84 50.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.988 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.444 HD11 HG21 ' A' ' 88' ' ' ILE . 11.2 mt -60.6 -39.18 80.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.312 178.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -26.57 68.06 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.031 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 m -83.89 -47.02 11.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.41 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.8 tt -63.87 -21.49 28.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 121.002 0.43 . . . . 0.0 110.597 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -76.5 -53.61 7.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.876 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.0 -32.1 73.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.932 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.62 -56.44 4.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.987 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.478 ' O ' HG23 ' A' ' 58' ' ' ILE . 38.2 mtt180 -48.85 -43.25 38.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.268 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -66.81 -46.96 73.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.687 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.88 -27.37 68.81 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 111.156 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.587 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -83.41 -57.3 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.531 HG13 ' N ' ' A' ' 59' ' ' LYS . 1.0 OUTLIER -56.07 -38.87 55.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.464 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.531 ' N ' HG13 ' A' ' 58' ' ' ILE . 32.6 mttt -50.5 -56.22 12.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.551 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -178.75 70.29 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.674 0.273 . . . . 0.0 111.42 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.587 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.6 OUTLIER -150.86 -101.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.721 179.819 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -131.26 64.36 1.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.936 0.398 . . . . 0.0 111.399 -179.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -55.03 -35.58 64.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.167 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.604 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 48.5 mt-30 -70.12 -24.87 63.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.98 0.419 . . . . 0.0 111.044 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -71.36 -19.28 62.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.241 0.543 . . . . 0.0 109.558 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.471 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -87.78 -45.61 10.18 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.38 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.623 ' HA ' HD21 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -68.68 -18.7 64.31 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.163 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -75.41 -58.15 3.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.262 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -63.55 -29.51 70.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.879 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.891 HD13 ' HG ' ' A' ' 96' ' ' LEU . 3.4 mt -70.69 -46.95 62.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.449 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -53.35 -40.98 65.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.503 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.73 -43.09 48.65 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.701 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.525 ' O ' HG12 ' A' ' 77' ' ' VAL . 12.3 tp -55.99 -39.08 71.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.355 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.517 ' HA ' HG12 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -63.01 -52.14 64.11 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.421 179.289 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.699 ' O ' HD12 ' A' ' 79' ' ' ILE . 4.8 mt-10 -57.33 -28.76 63.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.985 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -81.84 -54.81 5.05 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.631 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 73' ' ' LEU . 8.5 p -57.39 -29.71 33.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.368 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -53.97 52.35 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.123 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.699 HD12 ' O ' ' A' ' 75' ' ' GLU . 3.5 mt -68.25 -77.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.63 178.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -162.46 119.78 2.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -177.58 -80.05 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.686 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.501 ' C ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -125.44 55.43 1.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.902 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -58.15 -17.51 19.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.255 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.95 -35.0 22.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.522 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.6 t80 -71.01 -24.07 62.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.902 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.52 ' HB2' HG21 ' A' ' 77' ' ' VAL . 36.1 t-105 -72.48 -58.57 3.28 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.495 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 23.1 mt-10 -60.93 -17.84 53.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.056 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.444 HG21 HD11 ' A' ' 47' ' ' ILE . 10.9 mt -80.91 -59.97 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.833 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.616 HG13 ' HB ' ' A' ' 94' ' ' ILE . 52.9 t -47.58 -32.78 2.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.625 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.1 p -87.41 -40.13 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.024 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 0.8 OUTLIER -46.06 -29.06 1.35 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.32 178.372 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.9 -43.96 8.7 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 122.72 12.31 5.06 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.9 178.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.616 ' HB ' HG13 ' A' ' 89' ' ' VAL . 9.9 mt -67.53 150.47 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.692 0.282 . . . . 0.0 110.554 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.584 ' HA ' HD11 ' A' ' 116' ' ' LEU . 21.3 p -126.35 173.62 9.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.565 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.891 ' HG ' HD13 ' A' ' 70' ' ' LEU . 1.5 tt -54.21 -113.87 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.26 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.64 HG22 HG21 ' A' ' 107' ' ' VAL . 1.0 OUTLIER -110.14 -37.56 3.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 O-C-N 122.053 -0.404 . . . . 0.0 110.985 179.689 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.444 HG23 ' HB1' ' A' ' 112' ' ' ALA . 0.2 OUTLIER 61.56 125.56 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.045 179.321 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.649 ' HB2' ' HA ' ' A' ' 105' ' ' SER . 0.0 OUTLIER -47.79 -55.84 8.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.611 179.482 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -53.15 -31.07 40.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.199 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.466 ' HG3' HD13 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -108.27 39.98 1.86 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.997 0.427 . . . . 0.0 110.707 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.44 -102.51 0.42 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.2 p -134.78 -9.55 2.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.806 0.336 . . . . 0.0 110.986 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 160.22 61.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.438 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.649 ' HA ' ' HB2' ' A' ' 99' ' ' LYS . 0.5 OUTLIER 52.47 46.48 26.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.723 0.297 . . . . 0.0 111.232 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.824 ' O ' HG23 ' A' ' 107' ' ' VAL . 48.3 m -120.7 90.52 3.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.452 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 106' ' ' SER . 4.1 t -174.63 147.19 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.75 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.478 HG23 ' H ' ' A' ' 111' ' ' GLU . 5.7 t -81.94 150.94 27.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.928 0.394 . . . . 0.0 111.658 -179.615 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.46 -13.72 61.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.76 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.484 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 26.2 mt-10 -84.82 -17.64 37.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.47 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.825 ' HG3' HD13 ' A' ' 96' ' ' LEU . 2.5 tt0 -85.64 -44.35 12.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.29 -179.141 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.444 ' HB1' HG23 ' A' ' 98' ' ' THR . . . -87.71 -41.95 12.98 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -87.11 -45.07 11.04 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -177.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.484 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 3.5 tmtp? -66.86 -39.63 87.62 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.003 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.599 ' CG ' HD12 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -55.87 -40.6 73.17 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.391 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.602 HD21 ' O ' ' A' ' 94' ' ' ILE . 5.0 mp -98.26 19.85 13.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.652 0.263 . . . . 0.0 111.431 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.938 179.852 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.469 ' HB3' ' HB2' ' A' ' 7' ' ' GLU . 3.2 t-20 . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 120.533 0.206 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.2 -37.42 95.49 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.508 2.138 . . . . 0.0 112.476 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.93 -39.74 83.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.273 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.481 ' O ' HG22 ' A' ' 11' ' ' VAL . 6.4 tt0 -68.42 -51.28 45.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.136 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -55.71 -37.62 68.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.522 ' HD1' ' HB1' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -71.55 -45.09 63.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.575 179.777 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -59.53 -40.67 87.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.529 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.528 ' HA ' ' HB2' ' A' ' 14' ' ' LYS . 17.2 m -74.96 -44.39 44.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.501 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.479 HD23 ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -54.75 -32.95 60.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.771 0.32 . . . . 0.0 111.056 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 9' ' ' PHE . 34.1 m -95.11 -10.72 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.99 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.528 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 12.6 tttt -71.76 -30.29 65.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.257 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.465 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 1.9 pt20 -106.73 -51.33 2.95 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 120.601 -0.44 . . . . 0.0 112.138 -179.169 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.502 ' O ' ' C ' ' A' ' 17' ' ' LYS . 2.7 tppt? 157.33 -19.99 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.533 0.521 . . . . 0.0 109.894 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -18.08 -64.98 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.373 -0.831 . . . . 0.0 112.121 -179.396 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.01 162.4 33.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.515 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.7 m -87.16 171.63 10.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.748 0.308 . . . . 0.0 110.603 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -56.98 -46.3 82.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.252 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -47.99 -64.45 0.79 Allowed 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -53.46 -50.91 64.3 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.712 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.522 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -62.54 -31.33 72.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.119 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.9 m -67.49 -54.07 23.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.206 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -54.02 -44.51 71.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.258 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -60.89 -48.79 80.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.9 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.427 HD13 ' CD2' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -57.15 -48.11 79.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.065 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.0 -34.86 68.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.089 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.61 -45.91 81.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.005 0.431 . . . . 0.0 110.175 179.58 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -59.7 -44.5 93.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.948 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.04 -51.06 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.446 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 30.7 mt-10 -54.23 -37.84 65.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.806 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -67.07 -47.06 72.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.346 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -56.45 -28.57 59.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.713 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 32' ' ' GLU . 1.3 mt -60.96 -48.02 83.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.638 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -48.76 -21.49 0.63 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.112 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.34 101.49 12.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.311 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -77.84 54.38 1.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.362 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.441 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 9.3 mm-40 -115.15 138.29 51.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.594 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.52 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 2.5 m -57.26 -49.74 92.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.703 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.52 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 26.7 Cg_exo -62.72 -21.19 72.75 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.218 1.945 . . . . 0.0 112.297 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -83.69 -35.6 24.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -71.16 -22.21 62.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.909 0.385 . . . . 0.0 110.703 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 63.9 mtt -67.66 -30.86 70.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.059 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.24 -28.88 61.45 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.479 179.457 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.28 -51.81 48.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.892 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.7 mm -59.16 -41.8 84.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.045 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -26.73 67.48 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.152 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.9 m -82.72 -48.49 10.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.341 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.0 tt -59.96 -25.69 33.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.573 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -75.16 -54.9 6.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.179 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.95 -33.21 66.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.818 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.427 ' CD2' HD13 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -75.51 -55.7 5.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.251 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.405 ' O ' HG23 ' A' ' 58' ' ' ILE . 36.4 ttm-85 -51.69 -43.8 62.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.482 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -64.35 -56.13 16.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.67 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.81 -21.09 66.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.68 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.623 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -86.41 -59.97 2.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.784 0.326 . . . . 0.0 111.302 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.494 ' HA ' ' HB3' ' A' ' 63' ' ' GLU . 1.9 pp -56.22 -39.81 61.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.486 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -50.64 -55.14 17.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.691 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -176.08 77.18 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 120.769 0.319 . . . . 0.0 111.507 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.623 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 3.2 t -161.39 -99.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.584 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 65' ' ' ARG . 27.9 mt-10 -131.38 64.33 1.59 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.886 0.374 . . . . 0.0 111.177 -179.295 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.494 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 4.2 pt-20 -53.3 -36.88 61.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.262 179.207 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.838 ' HA ' HD22 ' A' ' 67' ' ' ASN . 56.6 mt-30 -65.12 -21.51 66.81 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.136 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.41 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 2.1 ttt85 -74.06 -19.65 60.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.107 0.48 . . . . 0.0 109.925 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.16 -48.32 7.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.265 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.838 HD22 ' HA ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -63.27 -18.34 63.47 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.352 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -74.02 -57.41 3.98 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 114.65 -1.159 . . . . 0.0 109.0 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -67.31 -23.67 65.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.886 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.841 HD12 HD13 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -70.31 -54.17 13.72 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.949 0.404 . . . . 0.0 110.021 179.67 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -53.13 -40.9 64.57 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.36 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.36 -43.07 70.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.599 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 tp -52.62 -39.25 61.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.425 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.501 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -67.76 -50.97 54.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.112 178.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -57.63 -31.37 66.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.325 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.759 ' HA ' HD12 ' A' ' 79' ' ' ILE . 40.9 mttt -81.64 -53.68 6.03 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.982 0.42 . . . . 0.0 110.879 -178.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 74' ' ' GLN . 7.7 p -50.94 -29.76 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.406 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.416 ' C ' ' H ' ' A' ' 80' ' ' LYS . 23.4 mt-10 -64.32 -49.41 71.86 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 178.677 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.759 HD12 ' HA ' ' A' ' 76' ' ' LYS . 4.3 mt -59.46 -5.04 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.864 178.743 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 81.79 119.98 0.05 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.497 179.106 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.686 ' HB3' HD23 ' A' ' 82' ' ' LEU . 1.6 mt-30 174.28 -40.65 0.01 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.739 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.686 HD23 ' HB3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -130.14 42.1 3.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 -179.741 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -25.87 61.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.755 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -84.84 -37.81 20.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.781 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.501 ' O ' HG23 ' A' ' 89' ' ' VAL . 5.9 t80 -55.83 -44.86 78.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.97 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 25.7 t-105 -59.35 -43.61 92.77 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.51 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -63.59 -37.64 88.1 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 27.1 mt -73.66 -19.24 17.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.08 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.688 ' HA ' HD12 ' A' ' 94' ' ' ILE . 9.7 t -83.33 -38.56 14.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.353 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.5 p -84.66 -35.0 9.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.622 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.94 -50.26 69.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.312 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.34 -5.12 1.48 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.825 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.28 2.78 90.34 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.957 -0.64 . . . . 0.0 113.09 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 89' ' ' VAL . 15.6 mt -60.14 121.5 8.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 117.049 0.424 . . . . 0.0 110.671 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.548 ' HA ' HD11 ' A' ' 116' ' ' LEU . 33.0 p -95.69 -166.49 1.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.521 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.841 HD13 HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -103.56 170.17 8.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.887 -179.615 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.794 HG22 HG21 ' A' ' 107' ' ' VAL . 1.7 mp -71.0 106.66 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.019 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.486 ' HA ' HG11 ' A' ' 107' ' ' VAL . 0.2 OUTLIER -106.19 145.24 31.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.803 -179.31 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 105' ' ' SER . 0.0 OUTLIER -46.18 -64.97 0.62 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.502 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.417 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -61.23 -29.74 70.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.996 -179.791 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.442 ' O ' HD13 ' A' ' 58' ' ' ILE . 4.2 mt-10 -82.58 12.66 4.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.784 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -113.38 -76.65 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.3 t -170.24 -78.09 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.25 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -93.98 34.6 4.58 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.969 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' A' ' 99' ' ' LYS . 0.3 OUTLIER 47.21 60.29 3.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.822 0.344 . . . . 0.0 111.406 179.893 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.482 ' O ' HG23 ' A' ' 107' ' ' VAL . 9.3 m -123.72 88.94 3.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.365 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.794 HG21 HG22 ' A' ' 97' ' ' ILE . 1.1 t 179.22 154.27 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.175 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.43 149.91 25.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.192 0.52 . . . . 0.0 111.808 -179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.79 -12.3 58.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.646 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -75.23 -19.6 59.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.232 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.603 ' HG3' HD12 ' A' ' 96' ' ' LEU . 4.2 tt0 -79.9 -49.1 12.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.83 0.348 . . . . 0.0 111.303 -179.482 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.543 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -76.01 -22.34 55.9 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.524 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -87.62 -49.83 6.9 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -70.04 -28.84 65.79 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.441 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . 9.6 m-85 -77.58 -47.45 19.38 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.548 HD11 ' HA ' ' A' ' 95' ' ' THR . 0.4 OUTLIER -83.98 37.86 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.939 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.004 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.1 t30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.439 0.162 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.62 -40.7 82.9 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.524 2.149 . . . . 0.0 112.399 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.61 -34.32 76.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.069 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.521 ' O ' HG22 ' A' ' 11' ' ' VAL . 1.9 tp10 -71.17 -51.95 21.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.932 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -56.55 -33.92 66.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.613 ' O ' HG22 ' A' ' 13' ' ' VAL . 6.0 t80 -73.46 -48.52 32.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.517 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -56.33 -39.43 72.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.198 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 7' ' ' GLU . 17.5 m -77.9 -42.35 28.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.031 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mt -54.43 -33.8 60.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.333 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 9' ' ' PHE . 16.9 m -92.93 -1.77 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.775 0.322 . . . . 0.0 111.311 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.39 41.13 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.414 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.449 ' H ' ' HG3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -115.99 -47.21 2.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.011 0.434 . . . . 0.0 111.032 179.706 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -151.67 -77.96 0.12 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.617 -178.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -159.28 83.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.473 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.85 -7.68 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.798 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 t 65.73 -90.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.218 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 t80 178.0 -36.51 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.13 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.29 -61.65 1.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.032 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -54.54 -50.02 68.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.671 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.573 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -59.91 -39.75 86.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.699 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.603 ' O ' HD12 ' A' ' 28' ' ' ILE . 49.9 m -66.45 -53.79 31.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.646 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -51.41 -49.41 61.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.572 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -47.46 84.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.684 179.627 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.8 -50.66 69.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.045 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.603 HD12 ' O ' ' A' ' 24' ' ' SER . 1.5 mp -58.53 -41.99 83.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.243 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.02 -45.83 93.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.857 0.361 . . . . 0.0 110.379 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -47.26 83.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.978 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.9 mt -56.92 -50.15 76.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.348 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.507 ' HA ' HD12 ' A' ' 35' ' ' LEU . 39.9 mt-10 -55.55 -43.02 75.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.676 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -59.82 -46.54 88.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.218 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -55.62 -31.93 62.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.904 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 32' ' ' GLU . 3.3 mt -69.48 -18.2 63.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.882 0.373 . . . . 0.0 111.077 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.13 -9.51 53.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.614 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.42 113.61 16.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.473 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -78.06 58.97 2.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.254 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.475 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 6.9 mm-40 -119.5 140.89 49.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.714 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.516 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 2.8 m -60.54 -49.47 89.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.761 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.516 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 32.7 Cg_exo -58.23 -24.32 66.61 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.155 1.904 . . . . 0.0 112.36 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -86.14 -36.72 19.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.013 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -72.2 -23.72 61.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.747 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 48.3 mtt -67.47 -29.46 68.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.887 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.94 -27.75 54.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.476 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.6 m -65.79 -51.13 61.56 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.82 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.466 ' O ' HG22 ' A' ' 50' ' ' ILE . 5.5 mt -60.57 -39.47 81.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.84 178.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.91 -25.38 66.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.799 178.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.1 m -83.09 -43.34 16.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.955 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.471 HG12 ' HZ ' ' A' ' 66' ' ' PHE . 3.0 tt -65.97 -28.12 42.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.724 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -77.62 -30.81 52.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.724 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.79 -34.09 57.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.936 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -80.37 -49.27 11.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.89 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.483 ' O ' HD13 ' A' ' 58' ' ' ILE . 4.0 tmt_? -52.34 -28.86 20.99 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.469 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -84.06 -53.58 5.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.283 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.11 -24.74 67.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.876 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.579 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -87.06 -59.76 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 0.0 111.702 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.483 HD13 ' O ' ' A' ' 54' ' ' ARG . 1.7 mp -55.43 -42.5 67.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.027 -179.451 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.439 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 1.1 mttt -50.02 -48.95 52.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.468 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.439 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 22.1 p90 -176.27 88.26 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 121.126 0.488 . . . . 0.0 111.169 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.579 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 6.6 t -174.08 -99.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.622 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -132.34 64.63 1.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.94 0.4 . . . . 0.0 111.238 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.48 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 9.1 pt-20 -53.47 -33.93 56.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.302 179.288 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.598 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 60.8 mt-30 -69.53 -20.61 63.69 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.923 0.392 . . . . 0.0 111.063 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -74.24 -18.63 60.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.338 0.589 . . . . 0.0 109.506 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.471 ' HZ ' HG12 ' A' ' 50' ' ' ILE . 13.0 t80 -87.2 -46.91 9.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.15 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.598 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.6 OUTLIER -68.4 -18.86 64.55 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.744 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -72.25 -57.63 4.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.867 -1.06 . . . . 0.0 108.998 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -65.53 -28.84 69.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.677 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.714 HD13 HD13 ' A' ' 96' ' ' LEU . 7.9 mt -65.26 -50.83 64.25 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.672 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.6 mttt -54.08 -40.39 67.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.479 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.11 -43.37 57.82 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.108 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.639 ' O ' HG12 ' A' ' 77' ' ' VAL . 14.4 tp -58.35 -42.58 87.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.51 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -58.69 -51.55 69.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.811 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.91 -25.79 65.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.173 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.405 ' HG2' HE22 ' A' ' 81' ' ' GLN . 21.6 mttm -82.07 -51.99 7.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.812 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.7 HG21 ' HB2' ' A' ' 86' ' ' TRP . 2.9 p -61.94 -36.74 75.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.829 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.88 -53.19 59.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.907 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.2 mm -61.18 -91.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.744 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -160.94 106.94 1.42 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.744 0.306 . . . . 0.0 110.968 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.405 HE22 ' HG2' ' A' ' 76' ' ' LYS . 2.1 mt-30 -169.72 -68.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.063 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.592 ' HB2' ' HB2' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -131.34 56.44 1.8 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.004 -179.696 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.2 -30.63 66.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.033 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -71.27 -37.02 71.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.592 ' HB2' ' HB2' ' A' ' 82' ' ' LEU . 6.3 t80 -54.91 -48.36 73.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.995 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.7 ' HB2' HG21 ' A' ' 77' ' ' VAL . 10.9 t-105 -55.83 -47.21 77.62 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.336 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -63.82 -36.59 84.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.922 0.391 . . . . 0.0 110.32 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.0 mt -77.98 -18.2 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.483 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 85' ' ' PHE . 14.7 t -84.53 -36.43 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.935 -179.34 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.46 HG23 HD23 ' A' ' 116' ' ' LEU . 11.2 p -81.23 -38.57 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.226 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -59.41 -45.77 90.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.557 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -3.84 0.79 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.404 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 85.73 -28.52 4.88 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.964 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.546 HD12 HG13 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -55.02 134.28 18.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.853 0.326 . . . . 0.0 110.727 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.489 ' HB ' HD13 ' A' ' 116' ' ' LEU . 1.3 p -125.99 168.15 14.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.793 HD12 ' HG3' ' A' ' 111' ' ' GLU . 0.1 OUTLIER -51.76 169.85 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.246 179.72 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.55 ' O ' HG11 ' A' ' 107' ' ' VAL . 1.5 mp -71.95 119.3 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.481 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.507 ' HB ' ' HB2' ' A' ' 101' ' ' GLU . 0.2 OUTLIER -104.83 148.19 26.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.977 0.418 . . . . 0.0 112.083 -179.602 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.563 ' HG3' ' H ' ' A' ' 107' ' ' VAL . 22.9 tttt -25.91 -88.29 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.19 -0.914 . . . . 0.0 113.394 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.525 ' C ' ' H ' ' A' ' 102' ' ' ALA . 3.4 pt-20 -67.31 -7.22 22.84 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.507 ' HB2' ' HB ' ' A' ' 98' ' ' THR . 2.7 tp10 -68.3 14.84 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.788 0.328 . . . . 0.0 111.241 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.525 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -128.35 -60.01 1.14 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.82 -45.79 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.706 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 176.72 45.96 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.761 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.4 t -119.68 134.59 55.17 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.201 0.524 . . . . 0.0 111.712 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.509 ' HA ' ' HG3' ' A' ' 99' ' ' LYS . 65.4 m -65.53 139.68 58.49 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.415 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.563 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 5.1 t -143.13 134.47 23.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.39 179.315 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.39 149.96 15.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.524 -178.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' ' 113' ' ' LYS . . . -81.59 -11.97 58.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.948 178.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.472 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 3.2 tt0 -85.08 -16.41 40.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.184 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.793 ' HG3' HD12 ' A' ' 96' ' ' LEU . 6.7 tt0 -84.01 -47.11 11.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.347 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.493 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.9 -41.99 12.82 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -178.205 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 109' ' ' ALA . 16.6 mttt -85.16 -43.3 13.96 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -177.462 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.472 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 2.0 tmtp? -67.45 -31.77 72.17 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -178.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -75.55 -47.76 25.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.68 0.276 . . . . 0.0 111.731 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.489 HD13 ' HB ' ' A' ' 95' ' ' THR . 1.5 mp -104.72 66.87 0.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 111.094 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 179.781 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 . . . . . 0 CA--C 1.532 0.254 0 CA-C-O 120.489 0.185 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.439 ' HD2' ' HE2' ' A' ' 45' ' ' LYS . 69.0 Cg_exo -51.12 -30.56 32.44 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.466 2.111 . . . . 0.0 112.56 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.41 -37.8 86.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.455 ' O ' HG22 ' A' ' 11' ' ' VAL . 30.4 mt-10 -76.04 -46.29 30.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -60.98 -30.34 70.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.623 ' O ' HG22 ' A' ' 13' ' ' VAL . 1.1 t80 -76.69 -48.3 19.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.63 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -59.91 -35.16 74.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.243 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 7' ' ' GLU . 31.6 m -79.17 -43.53 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.347 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.424 ' N ' HG23 ' A' ' 11' ' ' VAL . 0.8 OUTLIER -57.68 -28.89 64.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.258 179.846 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 9' ' ' PHE . 20.6 m -94.75 -2.43 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.831 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -118.42 44.19 2.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.701 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -116.2 -48.41 2.72 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.714 0.292 . . . . 0.0 110.88 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HG2' ' HD2' ' A' ' 17' ' ' LYS . 0.2 OUTLIER 172.3 -46.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.019 -179.7 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 10.5 mttt -152.23 154.84 36.56 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.822 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 17' ' ' LYS . . . 169.6 -22.62 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.37 -179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m 70.87 118.14 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.547 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -54.72 -35.62 63.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.074 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -57.83 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.778 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.04 -49.99 70.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.734 0.302 . . . . 0.0 111.481 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.563 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -60.88 -37.62 82.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.293 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.9 p -66.62 -52.59 43.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.555 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -53.85 -48.24 70.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.597 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -59.13 -48.35 81.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.951 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -56.85 -49.03 76.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.14 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.1 tp -61.83 -36.41 73.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.304 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.67 -45.91 81.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.864 0.364 . . . . 0.0 110.178 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -58.81 -45.45 89.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.958 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.1 mt -57.9 -50.28 78.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.434 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.56 ' HA ' HD12 ' A' ' 35' ' ' LEU . 34.0 mt-10 -53.77 -45.47 70.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.718 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -58.78 -46.4 87.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.265 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -55.8 -31.92 63.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.7 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 32' ' ' GLU . 2.8 mt -82.11 -19.0 40.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.776 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -75.25 -0.04 18.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.058 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -142.65 134.05 26.33 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.036 0.446 . . . . 0.0 110.615 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -83.52 114.79 21.74 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.63 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -165.08 140.29 5.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.696 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.512 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 2.4 m -69.07 -49.76 23.74 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.606 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.512 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 17.3 Cg_exo -67.01 -13.89 41.6 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.364 2.043 . . . . 0.0 112.281 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -86.11 -48.27 8.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.005 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.445 ' HE1' HD23 ' A' ' 35' ' ' LEU . 11.2 m-85 -63.83 -37.55 87.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.751 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.9 ttt -53.3 -31.22 42.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.776 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.439 ' HE2' ' HD2' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -74.9 -56.27 4.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.319 179.624 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 49' ' ' CYS . 0.7 OUTLIER -43.86 -49.1 8.38 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.869 178.822 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 70.1 mt -55.87 -52.04 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.892 0.377 . . . . 0.0 110.479 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.08 -18.53 65.38 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.307 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 46' ' ' SER . 1.8 m -78.71 -42.41 28.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.869 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.428 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -68.0 -28.01 39.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.226 179.064 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -77.44 -30.18 53.22 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.769 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.76 -36.25 37.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.376 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.78 -47.13 19.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.453 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.448 ' O ' HG23 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -46.58 -46.09 19.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.713 179.219 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -68.34 -44.87 74.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.529 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.85 -28.35 69.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.46 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.596 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.23 -55.63 3.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.207 -179.392 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.512 HG13 ' H ' ' A' ' 59' ' ' LYS . 1.1 pt -54.6 -41.55 55.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.507 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.512 ' H ' HG13 ' A' ' 58' ' ' ILE . 48.3 mttt -50.67 -56.29 12.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.727 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -179.68 79.13 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.855 0.359 . . . . 0.0 111.451 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.596 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -159.54 -100.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.358 179.677 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -132.74 63.2 1.64 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.991 0.424 . . . . 0.0 111.111 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -54.13 -35.08 61.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.532 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.548 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 38.2 mt-30 -74.27 -22.71 59.19 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.776 0.322 . . . . 0.0 111.219 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 65' ' ' ARG . 1.5 ttm-85 -71.96 -19.5 61.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.128 0.489 . . . . 0.0 109.937 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.437 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -88.25 -43.22 11.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.516 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.548 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 1.8 p30 -72.23 -21.72 61.35 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.065 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -67.14 -58.11 5.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.784 -1.098 . . . . 0.0 108.796 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -67.88 -28.91 67.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.764 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.832 HD13 HD13 ' A' ' 96' ' ' LEU . 3.6 mt -64.17 -46.99 81.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.491 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -56.43 -37.9 70.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.434 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.37 -43.67 49.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.781 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.676 HD11 HD11 ' A' ' 82' ' ' LEU . 21.5 tp -59.8 -41.42 91.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.575 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -52.14 66.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.855 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.438 ' O ' HD12 ' A' ' 79' ' ' ILE . 12.1 mt-10 -59.12 -27.42 65.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -81.28 -54.73 5.24 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.569 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.673 HG12 ' O ' ' A' ' 73' ' ' LEU . 4.8 p -59.87 -30.06 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.911 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.26 -52.09 62.47 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.454 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.438 HD12 ' O ' ' A' ' 75' ' ' GLU . 3.9 mt -62.14 -88.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.748 179.064 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -160.57 112.01 1.89 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.755 0.312 . . . . 0.0 111.168 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.55 ' HB3' HD23 ' A' ' 82' ' ' LEU . 3.5 mt-30 -171.28 -67.6 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.676 HD11 HD11 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -132.7 56.56 1.84 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.907 -179.888 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -57.56 -29.03 64.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.292 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -75.23 -35.94 61.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.139 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.669 ' O ' HG22 ' A' ' 89' ' ' VAL . 25.7 t80 -63.93 -28.85 70.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.136 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 42.5 t-105 -77.59 -51.54 10.49 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.844 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -61.3 -19.18 61.47 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.131 0.491 . . . . 0.0 109.933 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.438 ' O ' ' HG2' ' A' ' 91' ' ' GLN . 34.4 mt -85.07 -60.88 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.388 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.669 HG22 ' O ' ' A' ' 85' ' ' PHE . 5.3 m -49.76 -31.59 6.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.48 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 91' ' ' GLN . 8.7 p -73.01 -52.93 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.363 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.515 ' N ' HG13 ' A' ' 90' ' ' VAL . 9.5 pt20 -56.94 -37.1 71.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.829 178.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.67 -5.46 1.28 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.688 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 84.95 -21.5 11.44 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.74 -0.743 . . . . 0.0 114.132 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.453 HD11 HG12 ' A' ' 89' ' ' VAL . 20.1 pt -64.43 137.39 24.96 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 117.853 0.827 . . . . 0.0 110.631 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.505 ' HB ' HD13 ' A' ' 116' ' ' LEU . 12.8 p -127.68 167.9 15.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.531 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.832 HD13 HD13 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -50.5 170.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.511 179.713 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.459 ' O ' HG22 ' A' ' 97' ' ' ILE . 1.2 mp -66.39 114.18 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.017 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.7 142.4 32.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.031 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.635 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -46.59 -42.51 16.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.983 179.876 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.11 -29.83 0.67 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.596 -179.374 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.445 ' HB3' ' HB ' ' A' ' 58' ' ' ILE . 34.9 mt-10 -92.41 -52.12 4.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.521 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.22 -96.87 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.9 t -120.87 -1.28 9.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.862 0.363 . . . . 0.0 111.026 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.445 ' C ' ' H ' ' A' ' 106' ' ' SER . . . 91.16 121.12 2.48 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.884 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.589 ' N ' ' HB2' ' A' ' 99' ' ' LYS . 3.4 m 66.69 -15.36 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.721 ' O ' HG23 ' A' ' 107' ' ' VAL . 3.6 m -92.52 91.15 7.46 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.384 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 106' ' ' SER . 1.1 t 172.78 131.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.507 178.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.432 HG23 ' H ' ' A' ' 111' ' ' GLU . 12.3 t -65.01 150.71 47.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.341 0.591 . . . . 0.0 112.347 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.36 -11.69 59.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.412 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.552 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 28.4 mt-10 -82.3 -17.19 46.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.367 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.538 ' HG3' HD12 ' A' ' 96' ' ' LEU . 8.9 tt0 -85.37 -50.68 7.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.201 -179.211 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.53 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.62 -37.28 16.93 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -178.147 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.445 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -87.22 -46.15 9.99 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -177.65 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.552 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -66.4 -28.91 68.99 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.352 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -71.42 -47.58 55.02 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.505 HD13 ' HB ' ' A' ' 95' ' ' THR . 1.4 mp -92.2 -18.01 24.06 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -178.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 113' ' ' LYS . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.294 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.19 164.55 5.01 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.646 2.231 . . . . 0.0 112.321 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 t -122.95 140.15 47.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.035 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -114.32 129.82 24.54 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.59 -34.7 84.18 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.513 2.142 . . . . 0.0 112.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.22 -37.05 72.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.205 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.505 ' O ' HG23 ' A' ' 11' ' ' VAL . 25.0 mt-10 -69.71 -47.28 63.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.95 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -61.99 -34.42 76.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.822 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.517 ' O ' HG22 ' A' ' 13' ' ' VAL . 3.4 t80 -70.24 -47.46 61.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.642 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -59.11 -35.48 73.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.054 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 7' ' ' GLU . 76.0 t -76.61 -44.12 34.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.186 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -29.69 67.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.237 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 9' ' ' PHE . 27.8 m -94.16 -4.38 10.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.483 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.57 40.78 3.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -116.06 -47.35 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.983 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 4.8 pttt -175.87 -40.62 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.575 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 94.8 mttt -154.13 157.13 38.45 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.181 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.484 ' C ' ' H ' ' A' ' 20' ' ' PHE . . . -169.49 -31.94 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.178 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m 70.45 -21.75 0.18 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.703 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.484 ' H ' ' C ' ' A' ' 18' ' ' ALA . 6.9 t80 67.55 55.75 0.62 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.105 0.479 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -141.39 -57.78 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.72 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.14 -43.19 74.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.62 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.77 -31.02 70.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.951 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.4 m -77.31 -57.89 3.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.577 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.408 ' O ' HG22 ' A' ' 28' ' ' ILE . 7.5 m-80 -51.28 -44.16 61.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.757 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -63.34 -42.91 98.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.313 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.5 HD13 ' HD2' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -57.33 -47.43 81.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.595 179.462 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.408 HG22 ' O ' ' A' ' 25' ' ' ASN . 1.1 tp -63.66 -34.01 65.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.679 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -65.24 -44.46 88.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.808 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -60.88 -44.35 97.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.775 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.447 HD11 ' HB3' ' A' ' 49' ' ' CYS . 94.5 mt -56.76 -50.85 73.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.092 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.541 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -53.6 -44.46 69.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.698 179.475 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -59.96 -45.64 91.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.308 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -56.42 -32.17 64.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.606 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 32' ' ' GLU . 3.1 mt -82.17 -18.61 42.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.74 -49.62 75.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.75 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -49.82 -61.91 1.86 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.209 179.74 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 37' ' ' THR . 71.2 m-20 92.35 59.99 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.905 0.753 . . . . 0.0 110.788 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.4 ' HB2' ' HD2' ' A' ' 42' ' ' TYR . 33.0 mt-10 -131.7 163.08 28.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.617 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.545 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 24.4 m -68.72 -48.96 30.1 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.904 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.545 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 16.7 Cg_exo -67.52 -9.5 25.58 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.26 1.973 . . . . 0.0 112.389 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.4 ' HD2' ' HB2' ' A' ' 39' ' ' GLU . 2.3 m-85 -86.92 -26.12 24.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -73.81 -23.74 59.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.77 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -35.89 80.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.631 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -71.3 -33.95 70.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.667 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.0 m -66.71 -50.38 63.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.395 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.419 HD11 HG21 ' A' ' 88' ' ' ILE . 14.4 mt -58.37 -43.64 86.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.49 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.7 -25.05 67.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.33 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.447 ' HB3' HD11 ' A' ' 31' ' ' ILE . 5.3 m -80.57 -39.46 27.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.355 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.478 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -72.62 -27.06 24.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.634 179.559 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -77.05 -30.83 55.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.006 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.34 -34.51 31.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.065 0.46 . . . . 0.0 110.604 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.5 ' HD2' HD13 ' A' ' 27' ' ' LEU . 1.7 t80 -78.11 -48.36 16.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.835 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 3.5 tmm_? -51.67 -42.81 62.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.475 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -68.59 -46.45 69.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.75 0.309 . . . . 0.0 111.423 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -64.24 -26.43 68.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.144 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.621 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -84.33 -56.3 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.63 HG22 HG13 ' A' ' 97' ' ' ILE . 1.3 pp -56.1 -41.62 69.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.616 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.484 ' H ' HG13 ' A' ' 58' ' ' ILE . 11.9 mmtt -50.44 -56.32 12.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.721 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -179.2 77.77 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.756 0.313 . . . . 0.0 111.351 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.621 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -158.82 -99.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.449 179.692 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -131.54 64.02 1.6 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.931 0.396 . . . . 0.0 111.11 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -53.01 -36.45 60.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.353 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.547 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 6.1 mm-40 -71.86 -23.84 61.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.879 0.371 . . . . 0.0 111.111 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.3 ttt85 -72.61 -19.44 61.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.272 0.558 . . . . 0.0 109.66 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -87.31 -45.29 10.72 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.561 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.547 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 1.6 p30 -70.46 -18.86 62.99 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -73.47 -58.21 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.042 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -65.29 -28.58 69.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.408 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.44 HD13 ' CD1' ' A' ' 96' ' ' LEU . 9.7 mt -66.73 -47.11 73.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.342 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -56.01 -42.13 75.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.519 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.65 -43.68 54.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.263 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.694 ' O ' HG13 ' A' ' 77' ' ' VAL . 8.0 tp -57.47 -49.38 76.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -55.86 -51.85 66.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.035 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.548 ' O ' HD12 ' A' ' 79' ' ' ILE . 7.0 mt-10 -68.9 -25.12 64.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.318 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -75.27 -53.55 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.247 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.694 HG13 ' O ' ' A' ' 73' ' ' LEU . 2.4 m -63.29 -27.94 44.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.929 0.395 . . . . 0.0 110.554 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.66 -51.17 59.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.256 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.548 HD12 ' O ' ' A' ' 75' ' ' GLU . 3.5 mt -92.89 53.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.261 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.556 ' HD3' HD21 ' A' ' 82' ' ' LEU . 48.7 tttt -155.75 -82.7 0.07 Allowed 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.032 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.414 ' H ' ' HB3' ' A' ' 80' ' ' LYS . 2.8 mt-30 -176.95 -35.94 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.574 0.226 . . . . 0.0 111.38 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.651 HD12 HG12 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -74.08 37.53 0.1 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.679 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.404 ' HA ' HG23 ' A' ' 77' ' ' VAL . 1.0 OUTLIER -64.56 -15.52 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.061 0.458 . . . . 0.0 110.263 179.236 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -66.51 -30.87 71.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.448 ' O ' HG23 ' A' ' 89' ' ' VAL . 25.7 t80 -57.56 -33.43 68.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.534 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.506 ' O ' ' HB ' ' A' ' 90' ' ' VAL . 64.6 t-105 -77.24 -44.83 28.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.353 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -63.0 -21.62 66.28 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.419 HG21 HD11 ' A' ' 47' ' ' ILE . 52.2 mt -85.89 -62.25 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.249 179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 85' ' ' PHE . 60.8 t -50.75 -29.59 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.344 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.506 ' HB ' ' O ' ' A' ' 86' ' ' TRP . 1.2 t -82.05 -50.61 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.579 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.47 ' N ' HG12 ' A' ' 90' ' ' VAL . 9.2 mt-30 -52.8 -29.68 28.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.47 9.1 1.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.309 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 71.94 7.14 65.57 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.961 -0.638 . . . . 0.0 113.007 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.7 mt -81.56 143.1 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.786 0.327 . . . . 0.0 111.192 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.0 t -129.81 167.92 17.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.67 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.546 HD23 ' HG3' ' A' ' 111' ' ' GLU . 0.3 OUTLIER -62.36 -177.6 0.14 Allowed 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.33 0.586 . . . . 0.0 111.421 -179.797 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.769 HG22 HG21 ' A' ' 107' ' ' VAL . 1.7 mp -67.06 111.77 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.112 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.401 HG23 ' CB ' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -96.26 141.22 29.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.36 -179.448 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.454 ' C ' ' HA ' ' A' ' 105' ' ' SER . 0.1 OUTLIER -47.15 -59.87 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.45 179.723 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.434 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 1.7 tm-20 -63.81 -29.92 71.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.216 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.0 -5.32 2.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.01 0.433 . . . . 0.0 110.619 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.86 -164.05 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.522 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.7 t -113.07 79.62 1.26 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.981 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 147.21 1.86 0.54 Allowed Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.465 -0.874 . . . . 0.0 113.082 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.454 ' HA ' ' C ' ' A' ' 99' ' ' LYS . 47.7 m 46.0 64.35 1.5 Allowed 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.909 0.355 . . . . 0.0 111.273 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.647 ' O ' HG23 ' A' ' 107' ' ' VAL . 0.2 OUTLIER -123.87 89.19 3.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.844 -179.717 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.769 HG21 HG22 ' A' ' 97' ' ' ILE . 1.0 OUTLIER -173.99 131.73 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.359 178.86 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.21 153.17 44.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.928 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.474 ' HB1' ' HD2' ' A' ' 113' ' ' LYS . . . -66.82 -13.83 61.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.569 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.604 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 4.0 tt0 -84.07 -17.56 39.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.44 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.546 ' HG3' HD23 ' A' ' 96' ' ' LEU . 8.0 tt0 -84.58 -49.72 8.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.144 -179.243 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.401 ' CB ' HG23 ' A' ' 98' ' ' THR . . . -87.68 -39.02 15.35 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -178.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.474 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 17.3 mttt -86.55 -49.01 7.86 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.87 0.692 . . . . 0.0 112.87 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.604 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 5.9 tmtm? -60.18 -30.94 69.67 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -178.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.509 ' CD2' HD22 ' A' ' 96' ' ' LEU . 1.9 m-85 -74.01 -34.7 64.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.757 0.313 . . . . 0.0 111.186 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 115' ' ' PHE . 3.7 mp -130.27 83.46 2.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.985 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -100.51 149.74 36.37 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.031 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -54.76 0.2 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.485 2.123 . . . . 0.0 112.402 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -92.11 151.26 20.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 CA-C-O 120.158 -0.245 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.24 -179.42 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.717 2.278 . . . . 0.0 112.271 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.0 m 33.31 60.46 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.858 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -131.61 66.79 78.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.788 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -84.92 -45.4 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.782 2.321 . . . . 0.0 113.131 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.07 -41.61 86.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.629 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.45 -45.02 66.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.218 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -65.72 -24.66 67.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.93 0.395 . . . . 0.0 110.831 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.683 ' O ' HG22 ' A' ' 13' ' ' VAL . 10.5 t80 -79.63 -52.17 8.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -62.61 -30.94 71.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.386 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 9.9 p -79.44 -43.58 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.231 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.426 ' N ' HG13 ' A' ' 11' ' ' VAL . 2.3 tt -58.84 -27.15 64.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 9' ' ' PHE . 6.4 m -95.53 -7.77 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.33 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -108.65 -5.2 16.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.656 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 13.4 mm100 -116.44 -11.01 11.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.613 0.244 . . . . 0.0 111.472 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.77 120.83 0.18 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -70.11 83.58 0.52 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.892 0.377 . . . . 0.0 110.978 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.52 26.93 2.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.633 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 m 74.97 117.46 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.619 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -59.49 -32.94 70.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.122 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -51.85 -56.31 14.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.896 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -55.78 -49.2 73.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.757 0.313 . . . . 0.0 111.538 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.448 ' HB1' ' CD1' ' A' ' 9' ' ' PHE . . . -61.54 -38.83 88.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.236 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.4 p -64.57 -51.6 61.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.588 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.405 ' O ' HG22 ' A' ' 28' ' ' ILE . 4.7 m-80 -54.41 -46.88 73.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.685 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -59.67 -46.75 88.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.745 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -47.42 82.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.952 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.471 ' HA ' HD12 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -62.61 -35.25 69.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.903 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.78 -45.24 83.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.982 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -59.13 -44.72 92.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.907 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.471 HD12 ' HA ' ' A' ' 28' ' ' ILE . 68.6 mt -57.62 -48.97 82.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.233 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.564 ' HA ' HD12 ' A' ' 35' ' ' LEU . 38.6 mt-10 -55.32 -42.59 73.97 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.432 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -59.92 -44.78 94.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.948 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -56.68 -30.31 63.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.618 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 32' ' ' GLU . 2.3 mt -73.95 -17.91 60.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.872 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -69.3 -6.57 30.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.738 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.98 112.57 16.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.61 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -79.19 58.73 2.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.211 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.402 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 4.4 mm-40 -111.82 165.93 11.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.805 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.495 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 19.3 m -81.05 -50.26 0.99 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.755 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 40' ' ' THR . 61.9 Cg_endo -72.91 -15.06 26.52 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.129 1.886 . . . . 0.0 112.534 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -81.67 -32.23 31.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.425 ' CZ ' HD23 ' A' ' 35' ' ' LEU . 3.6 m-85 -81.33 -25.34 36.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.976 0.417 . . . . 0.0 110.76 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 39.0 mtt -62.56 -32.18 73.11 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.968 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -75.84 -28.21 58.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.304 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 m -62.65 -49.2 76.1 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.513 ' O ' HG22 ' A' ' 50' ' ' ILE . 9.8 mt -60.79 -38.97 80.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.634 178.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.29 -27.11 68.8 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.13 178.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 79.6 m -80.54 -39.67 27.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.26 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 47' ' ' ILE . 3.8 tt -70.23 -27.7 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.664 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -74.83 -32.75 62.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.59 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.56 -35.07 58.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.15 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -78.67 -49.12 13.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.961 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.556 ' O ' ' HB ' ' A' ' 58' ' ' ILE . 1.0 OUTLIER -53.21 -27.48 22.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.276 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -85.52 -55.17 4.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.763 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -65.89 -26.43 67.62 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.579 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.6 -60.46 1.99 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.556 ' HB ' ' O ' ' A' ' 54' ' ' ARG . 1.8 mp -55.48 -41.14 61.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.262 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.482 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 62.5 mttt -51.52 -47.84 63.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.504 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.482 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 17.4 p90 -172.27 86.95 0.08 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.09 0.472 . . . . 0.0 111.273 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.579 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -174.4 -98.08 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.508 179.692 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' A' ' 65' ' ' ARG . 31.0 mt-10 -133.84 65.0 1.59 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.13 -179.092 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.473 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 4.7 pt-20 -53.11 -34.81 58.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.28 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.593 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 37.1 mt-30 -64.71 -19.0 65.51 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.908 0.385 . . . . 0.0 111.155 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.419 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -75.29 -18.33 60.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.911 179.689 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.459 ' CZ ' HG12 ' A' ' 50' ' ' ILE . 6.6 t80 -87.29 -48.47 7.98 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.782 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.593 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.3 OUTLIER -63.88 -18.38 64.12 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 177.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -75.43 -57.5 3.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.251 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -65.01 -29.73 70.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.317 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.536 HD13 HD13 ' A' ' 96' ' ' LEU . 7.6 mt -66.76 -51.18 58.85 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.685 0.279 . . . . 0.0 110.47 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -53.9 -42.19 68.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.952 0.406 . . . . 0.0 110.637 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.82 -44.06 64.55 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.868 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.457 HD11 HD13 ' A' ' 82' ' ' LEU . 10.1 tp -59.94 -36.09 76.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.353 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.529 ' HA ' HG12 ' A' ' 77' ' ' VAL . 3.5 tm0? -64.88 -54.81 25.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.413 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.44 ' O ' HD12 ' A' ' 79' ' ' ILE . 19.1 mt-10 -53.76 -33.09 54.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.504 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -81.51 -57.42 3.48 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.164 0.507 . . . . 0.0 110.627 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.687 HG21 ' HB2' ' A' ' 86' ' ' TRP . 9.6 p -52.14 -31.74 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.421 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -55.86 -53.35 57.83 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.562 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.44 HD12 ' O ' ' A' ' 75' ' ' GLU . 3.7 mt -62.95 -89.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.962 179.123 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.03 172.13 16.22 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.459 ' O ' HD23 ' A' ' 82' ' ' LEU . 1.5 mt-30 66.96 118.28 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.653 HD11 ' HB ' ' A' ' 77' ' ' VAL . 0.2 OUTLIER 80.91 11.15 0.91 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.766 0.826 . . . . 0.0 110.378 179.534 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.442 ' HA ' ' CG2' ' A' ' 77' ' ' VAL . 15.1 t-20 -54.64 -42.43 71.24 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.944 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -62.12 -31.86 72.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.11 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.467 ' HB3' HD12 ' A' ' 82' ' ' LEU . 11.2 t80 -55.93 -39.18 71.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.028 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.687 ' HB2' HG21 ' A' ' 77' ' ' VAL . 53.5 t-105 -76.01 -42.8 46.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.594 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.46 -27.82 67.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.043 0.449 . . . . 0.0 109.929 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 54.8 mt -86.04 -59.85 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.517 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.525 ' HA ' HD12 ' A' ' 94' ' ' ILE . 18.6 t -46.81 -34.92 2.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.498 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 91' ' ' GLN . 1.1 t -76.62 -48.55 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.337 . . . . 0.0 110.153 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.453 ' N ' HG12 ' A' ' 90' ' ' VAL . 45.2 tt0 -55.03 -40.21 69.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.775 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.92 -1.65 3.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.18 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.05 5.58 87.08 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.942 -0.647 . . . . 0.0 113.316 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 89' ' ' VAL . 39.8 mt -60.84 126.7 19.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 117.11 0.455 . . . . 0.0 110.568 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.672 ' HA ' HD11 ' A' ' 116' ' ' LEU . 35.7 p -97.93 -166.48 1.38 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.184 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.569 HD12 ' HG3' ' A' ' 111' ' ' GLU . 0.5 OUTLIER -103.19 170.39 7.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.947 -179.237 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.573 HG22 HG21 ' A' ' 107' ' ' VAL . 1.3 mp -67.76 103.25 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.1 m -99.76 140.2 34.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.054 0.455 . . . . 0.0 111.994 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.551 ' HB3' ' N ' ' A' ' 107' ' ' VAL . 6.4 ptmt -49.13 -54.93 14.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.923 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.422 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 47.1 tt0 -57.39 -29.99 64.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.494 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -109.1 22.16 16.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.143 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.63 -95.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.265 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.6 t -137.27 -18.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.569 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 174.1 57.59 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.194 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.432 ' HA ' ' HB2' ' A' ' 99' ' ' LYS . 4.4 m 51.6 46.29 26.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.808 0.337 . . . . 0.0 111.151 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.43 ' O ' HG23 ' A' ' 107' ' ' VAL . 1.3 m -123.39 89.12 3.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.352 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.573 HG21 HG22 ' A' ' 97' ' ' ILE . 1.2 t 174.41 146.6 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.998 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.39 150.18 27.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.097 0.475 . . . . 0.0 111.675 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.18 -13.12 58.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.308 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 15.1 mt-10 -63.12 -21.91 66.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.895 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.569 ' HG3' HD12 ' A' ' 96' ' ' LEU . 6.1 tt0 -85.32 -51.06 6.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.912 0.387 . . . . 0.0 111.187 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.509 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -67.77 -24.86 65.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.218 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -87.59 -52.1 5.52 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 2.9 tmtp? -64.72 -31.35 72.53 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -178.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.4 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . 15.3 m-85 -78.28 -47.35 18.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.59 0.233 . . . . 0.0 111.556 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.672 HD11 ' HA ' ' A' ' 95' ' ' THR . 1.5 mt -91.27 37.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.927 0.394 . . . . 0.0 110.8 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.2 150.53 49.68 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.82 -176.0 1.36 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.469 2.113 . . . . 0.0 112.342 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -148.71 158.74 44.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.972 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.38 149.26 47.43 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.661 2.24 . . . . 0.0 112.265 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.6 p -137.79 146.33 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.023 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.415 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.1 t-20 -108.64 134.71 20.2 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 4' ' ' ASN . 20.1 Cg_exo -66.05 -41.68 12.79 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.579 2.186 . . . . 0.0 112.384 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.9 -43.25 75.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.355 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.474 ' O ' HG23 ' A' ' 11' ' ' VAL . 26.7 tt0 -66.06 -46.3 78.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.134 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -63.91 -33.21 75.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.981 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.561 ' O ' HG22 ' A' ' 13' ' ' VAL . 4.8 t80 -70.4 -50.49 38.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -59.45 -37.97 79.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.254 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 7' ' ' GLU . 86.6 t -72.01 -44.63 65.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.384 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.92 -31.18 68.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.377 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 9' ' ' PHE . 24.5 m -94.76 -9.58 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.616 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -90.51 -57.04 2.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.812 0.339 . . . . 0.0 111.387 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -55.32 -27.81 49.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.341 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.64 132.02 0.11 Allowed 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.99 91.8 0.22 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.182 0.515 . . . . 0.0 110.444 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.19 -54.53 39.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.301 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 t -174.07 -29.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.045 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.9 t80 75.82 -56.41 0.59 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.242 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -52.88 -46.37 67.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.324 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -61.43 -48.17 82.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.45 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -64.01 -33.77 76.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.711 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.619 ' O ' HD12 ' A' ' 28' ' ' ILE . 50.2 m -65.84 -53.36 41.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.127 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -51.93 -42.6 62.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.472 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -65.63 -44.56 86.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.302 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.17 -44.05 78.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.772 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.619 HD12 ' O ' ' A' ' 24' ' ' SER . 1.6 mp -65.95 -43.15 92.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.661 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -43.05 93.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.437 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -61.0 -50.15 74.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.211 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.5 mt -57.04 -49.51 79.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.583 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -56.17 -36.04 67.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.763 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -67.31 -47.28 71.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.301 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -59.52 -24.14 63.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.792 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.523 HD21 HD13 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -61.9 -50.23 73.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.709 179.745 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -51.86 -18.61 1.36 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.195 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.44 99.84 11.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.485 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -77.2 45.81 0.47 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.451 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.528 ' HB2' ' HB2' ' A' ' 42' ' ' TYR . 15.4 mm-40 -102.74 146.36 28.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 110.781 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.505 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.2 m -62.62 -50.37 78.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.103 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 40' ' ' THR . 59.9 Cg_endo -71.75 -18.78 28.26 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.108 1.872 . . . . 0.0 112.738 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.528 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 9.0 m-85 -79.01 -41.14 29.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.108 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -65.55 -17.63 64.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 55.1 mtt -74.53 -26.94 60.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.322 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -73.13 -33.73 65.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.875 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -50.99 60.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.054 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.551 ' O ' HG22 ' A' ' 50' ' ' ILE . 13.8 mt -59.19 -41.85 85.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.137 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.98 -26.63 67.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.941 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -81.44 -44.42 17.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.497 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.551 HG22 ' O ' ' A' ' 47' ' ' ILE . 11.6 tt -66.02 -27.62 41.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.775 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -79.0 -31.0 44.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.788 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.13 -37.67 45.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.414 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -75.72 -48.39 22.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.636 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.536 ' O ' HG23 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -49.01 -46.43 44.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.3 179.64 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -66.86 -47.39 72.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.661 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.22 -31.35 71.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.657 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.564 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -83.04 -54.07 5.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.558 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.536 HG23 ' O ' ' A' ' 54' ' ' ARG . 1.7 pp -57.48 -43.51 83.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.984 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.478 ' H ' HG13 ' A' ' 58' ' ' ILE . 55.1 mttt -49.46 -52.27 30.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.533 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.447 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 19.7 p90 -176.44 88.52 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.078 0 CA-C-O 121.14 0.495 . . . . 0.0 111.298 178.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.564 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 3.3 t -173.56 -96.77 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.752 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' A' ' 65' ' ' ARG . 36.1 mt-10 -135.56 64.93 1.56 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.165 -179.156 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.532 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 13.6 pt-20 -53.41 -34.18 56.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.294 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.582 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 55.3 mt-30 -67.47 -18.04 64.92 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.936 0.398 . . . . 0.0 111.009 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 5.8 ttt180 -74.89 -17.64 60.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.332 0.587 . . . . 0.0 109.557 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.423 ' CD2' HD13 ' A' ' 97' ' ' ILE . 15.4 t80 -86.84 -48.85 7.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.636 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.582 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.3 OUTLIER -66.55 -18.84 65.59 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.458 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -72.19 -57.96 3.81 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.123 178.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -68.68 -23.71 64.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.891 178.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.996 HD13 HD13 ' A' ' 96' ' ' LEU . 9.1 mt -67.25 -52.11 44.81 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.501 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -57.63 -42.32 83.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.718 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.51 -45.97 64.57 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.063 0.459 . . . . 0.0 111.245 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.758 ' O ' HG13 ' A' ' 77' ' ' VAL . 12.8 tp -59.77 -58.66 7.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.628 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -48.71 -58.47 4.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.029 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -52.98 -41.3 64.46 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.519 -178.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -66.22 -58.17 5.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.35 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.758 HG13 ' O ' ' A' ' 73' ' ' LEU . 0.9 OUTLIER -63.29 -22.98 32.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.685 -179.437 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -49.72 76.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.126 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.4 mt -69.95 54.13 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 112.964 0.728 . . . . 0.0 112.964 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 80' ' ' LYS . 0.6 OUTLIER 50.61 64.46 1.81 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 177.674 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.517 ' HB3' HD23 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -122.44 -77.27 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.999 178.634 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.523 HD13 HD21 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -136.65 62.43 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.989 0.423 . . . . 0.0 110.867 179.097 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -66.83 -24.08 66.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.232 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -53.14 -52.11 59.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.598 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.547 ' HA ' HD12 ' A' ' 88' ' ' ILE . 21.0 t80 -52.05 -42.66 63.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.555 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.528 ' HH2' HD21 ' A' ' 96' ' ' LEU . 74.6 t-105 -61.46 -40.69 95.44 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.178 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -64.43 -38.81 92.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.073 0.463 . . . . 0.0 109.902 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 85' ' ' PHE . 2.7 mt -77.8 -18.58 13.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.982 179.024 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.644 ' HA ' HD12 ' A' ' 94' ' ' ILE . 2.7 t -81.52 -40.59 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.164 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.1 p -76.98 -36.46 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.339 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -62.49 -48.89 77.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.61 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -10.48 4.88 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.315 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.44 30.22 14.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.949 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 89' ' ' VAL . 15.7 mt -92.54 116.44 33.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.037 0.446 . . . . 0.0 110.69 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.819 HG23 ' H ' ' A' ' 97' ' ' ILE . 11.7 t -92.78 -167.02 1.65 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.556 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.996 HD13 HD13 ' A' ' 70' ' ' LEU . 1.1 mm? -98.83 5.19 47.57 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.578 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.819 ' H ' HG23 ' A' ' 95' ' ' THR . 0.5 OUTLIER 84.72 121.17 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 O-C-N 124.132 0.895 . . . . 0.0 109.742 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.72 150.55 33.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.592 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.523 ' HB2' ' HA ' ' A' ' 105' ' ' SER . 0.0 OUTLIER -43.44 -56.7 3.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.789 179.655 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -62.4 -26.39 68.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.441 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -103.64 16.31 26.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.146 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.87 -94.48 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.274 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.9 -16.24 0.69 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.924 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 175.24 57.6 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.428 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.523 ' HA ' ' HB2' ' A' ' 99' ' ' LYS . 58.1 m 52.93 43.65 31.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.675 0.274 . . . . 0.0 111.363 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.53 ' O ' HG23 ' A' ' 107' ' ' VAL . 1.0 OUTLIER -123.89 89.01 3.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.77 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 106' ' ' SER . 0.9 OUTLIER 170.5 139.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.929 179.112 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.05 150.35 46.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 111.232 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.17 -48.46 12.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.661 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -42.2 -21.89 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.218 179.174 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.438 ' CG ' ' HB3' ' A' ' 96' ' ' LEU . 3.9 tt0 -74.26 -52.53 12.04 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.416 0.627 . . . . 0.0 109.744 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.638 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -78.76 -19.61 51.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.88 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -88.54 -48.56 7.49 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 0.5 OUTLIER -72.53 -20.3 61.37 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -178.054 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.499 ' CG ' ' HG ' ' A' ' 96' ' ' LEU . 4.9 m-85 -83.34 -47.69 11.2 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.577 HD11 ' HA ' ' A' ' 95' ' ' THR . 2.0 mp -82.33 57.65 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 111.147 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -112.36 154.9 44.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -64.88 137.45 53.36 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.444 2.096 . . . . 0.0 112.309 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -94.56 -60.59 1.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.99 -179.78 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.651 2.234 . . . . 0.0 112.326 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.1 p -165.59 137.32 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 64.69 113.2 0.03 OUTLIER Pre-proline 0 CA--C 1.53 0.208 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.913 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.99 -29.53 54.89 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.452 2.102 . . . . 0.0 112.567 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.73 -37.41 84.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.054 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 11' ' ' VAL . 22.0 mt-10 -72.17 -47.87 47.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.805 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -62.38 -29.07 70.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.654 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.43 ' O ' HG22 ' A' ' 13' ' ' VAL . 71.7 t80 -72.55 -52.42 15.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.626 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 10' ' ' ARG . 51.2 mtt180 -57.3 -34.94 69.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.006 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 7' ' ' GLU . 84.1 t -78.03 -45.96 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.004 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 mt -51.87 -32.15 30.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 9' ' ' PHE . 16.5 m -89.25 -40.16 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -82.29 56.0 3.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -116.1 -47.7 2.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.758 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.587 ' HG3' ' H ' ' A' ' 17' ' ' LYS . 22.3 pttt 179.59 -52.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.691 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.587 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 20.0 tttt -176.38 61.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.92 -2.32 57.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.055 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 m 68.64 127.47 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.983 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -62.92 -32.57 73.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.187 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -48.9 -64.91 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -52.3 -51.07 60.67 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.56 -38.85 82.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.565 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.7 m -65.9 -53.01 45.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.595 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -53.54 -49.38 67.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.529 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -56.47 -48.32 77.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -56.41 -49.15 75.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.949 179.756 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.6 mm -59.0 -43.14 88.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.594 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -62.36 -46.21 89.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.73 0.3 . . . . 0.0 110.407 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -47.87 70.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.906 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.9 mt -58.55 -48.87 84.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.58 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.619 ' HA ' HD12 ' A' ' 35' ' ' LEU . 21.2 mt-10 -54.33 -42.37 70.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.759 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -63.25 -49.49 73.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.162 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -53.22 -25.98 16.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.655 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 32' ' ' GLU . 3.4 mt -79.08 -39.18 34.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.698 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -59.36 -42.78 92.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.48 -30.75 67.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 58.96 39.48 23.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.976 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -99.98 127.73 46.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.439 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 1.2 m -54.3 -48.45 94.52 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.844 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.439 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 48.2 Cg_exo -56.28 -65.31 0.11 Allowed 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.154 1.903 . . . . 0.0 112.509 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -45.67 -30.85 1.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.43 ' HB2' ' O ' ' A' ' 40' ' ' THR . 2.0 m-85 -58.08 -38.29 76.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.811 0.339 . . . . 0.0 110.776 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.2 mtt -57.02 -25.65 58.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.509 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.23 -55.15 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.109 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 49' ' ' CYS . 0.7 OUTLIER -43.25 -47.15 6.44 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.621 178.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.404 HD13 HG12 ' A' ' 88' ' ' ILE . 34.4 mt -56.84 -50.16 76.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.096 0.474 . . . . 0.0 109.964 178.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -63.76 -18.55 64.17 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.024 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 46' ' ' SER . 73.8 m -81.97 -47.17 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.68 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -24.87 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-O 121.159 0.504 . . . . 0.0 110.1 178.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.417 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 5.6 mtt180 -77.84 -52.49 8.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.951 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.97 -33.19 70.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.872 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.414 ' HB3' ' HE1' ' A' ' 66' ' ' PHE . 4.7 t80 -72.69 -53.17 12.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.767 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -58.48 -31.12 67.54 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.759 0.314 . . . . 0.0 110.998 -179.65 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.19 -53.28 17.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.884 0.373 . . . . 0.0 110.606 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.54 -23.93 66.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.584 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.588 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.68 -58.29 2.66 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.714 0.292 . . . . 0.0 111.481 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.406 HD11 HD11 ' A' ' 97' ' ' ILE . 53.6 mt -55.34 -43.15 70.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.73 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.458 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 37.0 mttt -49.78 -53.68 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.482 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.458 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 21.6 p90 -178.59 90.39 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.197 0.522 . . . . 0.0 110.9 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.588 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -172.75 -99.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.302 179.826 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -131.32 64.67 1.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 0.0 111.248 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -53.18 -35.62 60.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.232 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.593 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 21.3 mt-30 -68.49 -22.17 64.56 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.965 0.412 . . . . 0.0 111.114 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' A' ' 65' ' ' ARG . 4.4 ttt180 -73.05 -19.96 61.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.149 0.5 . . . . 0.0 109.837 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 54' ' ' ARG . 1.2 t80 -87.41 -46.03 10.01 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.593 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.5 OUTLIER -65.5 -18.18 65.12 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 178.471 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -77.59 -58.12 3.44 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.638 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -62.95 -33.56 75.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.954 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.558 HD13 HD13 ' A' ' 96' ' ' LEU . 12.2 mt -65.19 -47.81 75.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.117 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -54.39 -44.67 72.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.467 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.06 -44.85 75.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.742 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 tp -51.47 -40.64 59.88 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.383 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.445 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -65.09 -50.28 66.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.148 178.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.508 ' O ' HG12 ' A' ' 79' ' ' ILE . 5.4 mt-10 -62.4 -24.73 67.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.998 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -82.46 -52.33 6.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.925 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.459 HG23 ' HG ' ' A' ' 82' ' ' LEU . 10.9 p -54.13 -31.52 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.51 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' A' ' 80' ' ' LYS . 7.1 mt-10 -64.25 -42.62 96.4 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' ' 75' ' ' GLU . 28.8 mm -59.02 -6.45 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.652 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 76.66 114.72 0.06 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.052 179.787 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 176.85 -40.02 0.01 OUTLIER 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.794 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.459 ' HG ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -128.78 45.75 2.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.298 -179.661 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -59.33 -27.6 66.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.873 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.525 ' O ' HG22 ' A' ' 88' ' ' ILE . 1.3 p80 -79.28 -38.29 35.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.793 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.55 ' O ' HG22 ' A' ' 89' ' ' VAL . 25.0 t80 -61.25 -24.47 66.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.747 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.485 ' O ' ' HB ' ' A' ' 90' ' ' VAL . 56.9 t-105 -86.98 -48.46 8.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.341 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -59.61 -22.17 61.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.454 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.549 HG23 ' N ' ' A' ' 89' ' ' VAL . 2.1 tt -86.73 -57.69 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.009 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.572 ' HA ' HD12 ' A' ' 94' ' ' ILE . 30.3 m -56.95 -36.17 49.56 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-O 120.839 0.352 . . . . 0.0 111.323 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.557 HG12 ' N ' ' A' ' 91' ' ' GLN . 0.9 OUTLIER -68.69 -59.44 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.929 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.557 ' N ' HG12 ' A' ' 90' ' ' VAL . 19.1 mt-30 -52.77 -31.53 38.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.075 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.1 4.44 2.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.403 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.56 1.79 72.56 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.877 -0.678 . . . . 0.0 113.237 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.572 HD12 ' HA ' ' A' ' 89' ' ' VAL . 15.2 mt -67.49 134.39 30.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 117.091 0.446 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 t -129.11 159.82 34.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.013 0.435 . . . . 0.0 111.627 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.674 HD12 ' HG3' ' A' ' 111' ' ' GLU . 0.1 OUTLIER -58.5 176.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.589 -179.824 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.406 HD11 HD11 ' A' ' 58' ' ' ILE . 1.4 mp -72.45 121.59 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.14 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.44 ' HB ' ' HB2' ' A' ' 101' ' ' GLU . 0.1 OUTLIER -101.51 142.42 32.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.142 179.651 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.457 ' HB3' ' N ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -39.27 -85.18 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.65 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.527 ' C ' ' H ' ' A' ' 102' ' ' ALA . 19.2 tt0 -53.14 -20.41 3.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.032 -178.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.44 ' HB2' ' HB ' ' A' ' 98' ' ' THR . 2.9 tt0 -68.17 15.08 0.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.681 0.277 . . . . 0.0 111.213 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.527 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -121.95 -60.13 1.61 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.981 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.95 -40.23 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.642 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 171.82 43.77 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.641 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.69 129.53 53.71 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-O 121.261 0.553 . . . . 0.0 111.509 -179.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.3 p -65.84 140.74 58.41 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.443 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.457 ' N ' ' HB3' ' A' ' 99' ' ' LYS . 3.4 t -139.01 138.51 41.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.226 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.93 149.08 15.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.296 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.34 -12.69 57.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.132 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.462 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 2.0 mt-10 -84.29 -16.64 42.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.305 -179.163 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.674 ' HG3' HD12 ' A' ' 96' ' ' LEU . 8.8 tt0 -82.35 -48.36 11.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.968 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.419 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -88.24 -43.48 11.55 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -178.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -80.48 -47.57 14.1 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -177.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.462 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 0.2 OUTLIER -64.26 -34.05 77.22 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -178.296 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -68.29 -47.14 68.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.755 0.312 . . . . 0.0 111.201 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mp -110.3 61.77 0.6 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.097 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -82.7 153.45 67.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.965 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -67.05 -26.61 43.05 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.464 2.109 . . . . 0.0 112.32 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -112.46 -0.88 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -57.02 -29.65 83.71 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.594 2.196 . . . . 0.0 112.268 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.0 t -106.51 142.61 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.057 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.422 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.0 t-20 -110.14 137.44 20.56 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 4' ' ' ASN . 25.6 Cg_exo -63.07 -37.61 51.39 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.614 2.21 . . . . 0.0 112.257 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.51 -31.33 69.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.202 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 11' ' ' VAL . 17.0 mt-10 -72.74 -52.29 15.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.727 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -63.87 -25.35 68.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.575 ' O ' HG22 ' A' ' 13' ' ' VAL . 31.8 t80 -74.79 -54.75 6.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.73 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -55.33 -29.45 58.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.041 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 7' ' ' GLU . 58.9 t -85.26 -46.04 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.041 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 tp -53.8 -33.25 55.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.151 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 9' ' ' PHE . 5.8 m -79.53 -49.77 19.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.815 0.341 . . . . 0.0 110.644 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' N ' HG23 ' A' ' 13' ' ' VAL . 36.4 mttp -80.34 37.88 0.4 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.18 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.31 -48.86 8.65 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.358 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER 174.06 -38.74 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.566 0.222 . . . . 0.0 111.22 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 5.4 mmtp -129.86 -29.32 2.12 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.41 ' HB3' ' HA ' ' A' ' 13' ' ' VAL . . . -52.92 104.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.953 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 t -85.84 -67.22 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.492 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -179.34 44.85 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.014 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -121.28 -68.33 0.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 111.135 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -66.86 -43.37 83.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.47 -30.31 69.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.452 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.6 m -73.63 -58.03 3.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.809 0.338 . . . . 0.0 110.793 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -52.86 -42.74 65.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.84 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -62.05 -47.99 82.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.733 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.416 ' HA ' HD22 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -56.55 -47.27 79.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.75 179.716 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -33.79 66.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -65.7 -44.82 84.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.155 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -44.79 95.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.914 179.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.445 HD11 ' HB3' ' A' ' 49' ' ' CYS . 97.0 mt -57.49 -50.9 75.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.232 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -57.39 -47.87 80.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.934 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -53.72 -48.86 69.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.51 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -54.31 -44.1 71.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.817 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.45 -18.1 57.38 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.97 0.414 . . . . 0.0 110.988 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -77.63 -5.87 51.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.802 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 60.0 p -126.9 118.41 24.52 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.624 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -76.69 126.41 30.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.745 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 42' ' ' TYR . 8.6 mm-40 -162.31 165.11 27.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.68 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.576 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 11.6 m -82.18 -50.62 0.82 Allowed Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.576 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 65.3 Cg_endo -88.9 8.91 3.76 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.501 2.134 . . . . 0.0 113.693 -178.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.404 ' HB3' ' HB2' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -87.11 -35.06 18.89 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.214 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -64.64 -17.74 64.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.935 0.397 . . . . 0.0 110.717 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -77.13 -27.29 53.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.389 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -32.4 60.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.659 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.05 -52.34 43.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.244 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.9 mt -59.38 -40.25 81.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.509 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -62.27 -26.21 68.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.002 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.445 ' HB3' HD11 ' A' ' 31' ' ' ILE . 5.7 m -83.41 -47.77 11.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.323 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.493 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 6.3 tt -63.62 -20.77 27.05 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.084 0 CA-C-O 120.961 0.41 . . . . 0.0 110.614 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -78.65 -53.87 6.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.104 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.89 -31.98 72.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.905 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -72.77 -54.92 7.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -53.89 -39.83 66.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.262 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -64.47 -50.87 65.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.813 0.339 . . . . 0.0 111.256 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.92 -24.05 67.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.34 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.58 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -86.25 -57.79 2.88 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.767 0.318 . . . . 0.0 110.857 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.692 HG22 HG13 ' A' ' 97' ' ' ILE . 1.9 pp -53.89 -40.19 43.43 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.204 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.197 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -49.97 -54.19 21.51 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.516 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -177.28 80.16 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.348 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.58 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 7.6 t -160.79 -99.41 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.759 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -132.67 65.39 1.59 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.009 0.433 . . . . 0.0 111.379 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -52.44 -35.74 52.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.493 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.608 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 48.6 mt-30 -70.53 -18.38 62.94 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.737 0.303 . . . . 0.0 111.109 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -79.21 -20.52 48.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.11 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.51 -47.06 9.04 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.844 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.608 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -66.98 -18.79 65.55 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 178.322 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -69.98 -57.7 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.205 -1.361 . . . . 0.0 108.844 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -70.88 -25.41 62.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.873 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.583 HD13 ' CD1' ' A' ' 96' ' ' LEU . 9.7 mt -67.93 -48.0 67.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.633 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -58.0 -35.5 71.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.875 0.369 . . . . 0.0 110.741 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.45 -42.29 30.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.095 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.738 ' O ' HG13 ' A' ' 77' ' ' VAL . 11.4 tp -62.93 -45.96 90.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.694 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -53.67 55.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.158 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.15 -33.08 74.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.345 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -69.61 -57.35 5.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.329 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.738 HG13 ' O ' ' A' ' 73' ' ' LEU . 1.4 m -66.73 -28.14 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.162 -179.332 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -57.77 -52.57 64.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.94 0.4 . . . . 0.0 109.992 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.1 mm -61.21 -82.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.779 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -152.52 105.13 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.783 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.421 ' HB2' ' HA ' ' A' ' 77' ' ' VAL . 1.7 mt-30 -173.66 -75.97 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.488 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.15 69.67 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.918 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -67.16 -18.56 65.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.631 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -66.17 -39.81 90.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.628 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -60.13 -28.66 68.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.746 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 -78.38 -47.17 18.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.776 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -62.76 -22.27 66.45 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.202 0.525 . . . . 0.0 110.053 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 62.6 mt -85.49 -59.92 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.838 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.422 ' HA ' HD12 ' A' ' 94' ' ' ILE . 11.7 t -47.48 -33.82 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.497 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 91' ' ' GLN . 14.1 p -76.84 -49.21 24.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.769 0.319 . . . . 0.0 110.707 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.501 ' N ' HG13 ' A' ' 90' ' ' VAL . 20.2 tt0 -56.39 -39.37 72.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.994 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.12 -2.26 4.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.454 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.08 46.53 21.71 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.747 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 89' ' ' VAL . 53.6 mt -105.62 131.16 55.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.938 0.399 . . . . 0.0 110.883 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.754 ' HA ' HD11 ' A' ' 116' ' ' LEU . 16.6 p -99.71 -166.79 1.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.709 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.583 ' CD1' HD13 ' A' ' 70' ' ' LEU . 1.1 tp -101.95 -135.5 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.072 -179.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.692 HG13 HG22 ' A' ' 58' ' ' ILE . 1.3 mp -117.27 115.22 48.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 120.942 0.401 . . . . 0.0 111.658 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.472 ' HA ' ' HB ' ' A' ' 107' ' ' VAL . 0.2 OUTLIER -103.24 132.91 49.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.983 178.562 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.535 ' CG ' HG23 ' A' ' 107' ' ' VAL . 33.5 mtpt -54.85 -33.33 61.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.699 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -59.0 -25.06 63.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.892 0.377 . . . . 0.0 110.691 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -75.21 -21.39 58.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.326 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 58' ' ' ILE . . . -137.24 -69.36 0.46 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.899 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.468 ' HB2' ' HG2' ' A' ' 99' ' ' LYS . 0.6 OUTLIER -52.64 -90.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.616 -179.398 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.91 -58.18 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.368 -0.92 . . . . 0.0 113.156 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.7 p -66.0 -154.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.827 0.346 . . . . 0.0 111.549 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 107' ' ' VAL . 18.7 t -124.06 89.74 3.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.055 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.535 HG23 ' CG ' ' A' ' 99' ' ' LYS . 1.2 t -24.99 133.11 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.211 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.449 ' HB ' ' HG2' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -47.98 151.35 0.96 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.577 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.662 ' HB1' ' HB2' ' A' ' 113' ' ' LYS . . . -60.87 -31.72 71.17 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.315 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.449 ' HG2' ' HB ' ' A' ' 108' ' ' THR . 0.7 OUTLIER -50.14 -26.18 4.27 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.807 179.801 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.568 ' HG3' HD23 ' A' ' 96' ' ' LEU . 1.4 tt0 -89.8 -59.04 2.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.038 0.447 . . . . 0.0 111.16 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -80.1 -34.26 38.06 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.662 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 29.7 mttt -88.58 -42.89 11.77 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -177.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -66.73 -31.62 72.39 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -178.193 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -75.14 -47.34 28.99 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.754 HD11 ' HA ' ' A' ' 95' ' ' THR . 1.5 mp -79.94 -31.68 40.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.647 0.26 . . . . 0.0 111.395 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -122.1 136.5 26.37 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.15 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.75 -47.3 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.446 2.097 . . . . 0.0 112.41 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -120.43 175.53 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.08 146.48 58.55 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.694 2.263 . . . . 0.0 112.347 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.8 t -102.82 -58.64 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.205 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -108.18 135.21 19.94 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -61.0 -34.89 90.0 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.499 2.133 . . . . 0.0 112.256 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.79 -18.37 61.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.045 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -85.09 -56.47 3.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.031 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -63.08 -30.83 71.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.607 ' O ' HG22 ' A' ' 13' ' ' VAL . 11.7 t80 -70.93 -53.72 13.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -54.47 -40.08 68.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.498 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.1 p -77.42 -42.03 30.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.667 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.01 -39.82 72.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.382 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 9' ' ' PHE . 17.2 m -83.03 -6.71 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.266 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -112.73 43.04 1.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -109.34 -47.61 3.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.85 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.544 ' HG3' ' H ' ' A' ' 17' ' ' LYS . 2.5 pttt -178.92 -55.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.771 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.544 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 4.0 mttt -173.62 74.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.833 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.3 -3.5 53.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 m 72.35 122.89 0.04 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.852 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -60.92 -31.47 70.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.245 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -53.0 -55.91 20.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.891 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -55.97 -50.28 71.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.621 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.587 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -62.82 -36.38 82.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.064 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.6 t -63.3 -53.05 58.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.672 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -55.95 -43.89 77.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.87 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.05 -49.23 78.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.073 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -45.82 85.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.3 -32.84 59.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.89 0.376 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -67.53 -45.64 75.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.324 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -61.62 -44.39 97.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.188 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 89.8 mt -58.7 -49.61 82.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.591 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -55.49 -42.88 75.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.679 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -61.61 -47.1 86.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.56 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -56.38 -37.31 69.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.57 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.8 mt -61.46 -45.24 95.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.764 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.02 -0.75 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.425 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.05 119.18 32.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.08 0.466 . . . . 0.0 110.559 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -82.16 107.31 14.76 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.699 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -162.87 131.9 4.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.509 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.46 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 1.5 m -64.12 -50.07 70.54 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.738 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.46 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 16.8 Cg_exo -67.62 -12.59 36.11 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.345 2.03 . . . . 0.0 112.412 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -86.19 -41.97 14.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.131 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.15 -31.08 70.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.919 0.39 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -31.98 73.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.114 0.483 . . . . 0.0 110.077 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -71.43 -31.44 67.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.687 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.49 -50.12 60.38 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.2 mt -57.88 -43.72 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.818 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.44 -28.9 67.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.031 179.08 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 36.3 m -77.6 -43.83 30.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.034 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.86 -31.95 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.748 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -72.07 -35.17 69.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.022 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.71 -36.19 57.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.452 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -75.8 -51.17 13.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.791 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.448 ' NH1' HG22 ' A' ' 94' ' ' ILE . 21.0 mtp-105 -48.07 -45.56 32.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.379 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -70.03 -44.57 68.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.683 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.84 -34.99 79.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.589 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.61 -53.5 4.92 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.806 0.298 . . . . 0.0 111.806 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.429 ' HA ' ' HB3' ' A' ' 63' ' ' GLU . 71.5 mt -53.85 -46.42 63.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.006 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.48 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 33.4 mttm -49.56 -50.29 42.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.665 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.48 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 23.6 p90 -175.79 99.76 0.07 Allowed 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.103 0.478 . . . . 0.0 111.086 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.589 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.6 OUTLIER 179.2 -93.44 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.23 179.707 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.409 ' HB3' ' HB2' ' A' ' 65' ' ' ARG . 33.6 mt-10 -138.55 59.95 1.62 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.868 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 0.9 OUTLIER -53.51 -37.34 62.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.645 179.754 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.603 ' HA ' HD21 ' A' ' 67' ' ' ASN . 16.8 tt0 -69.04 -10.2 56.35 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.594 0.235 . . . . 0.0 111.607 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.409 ' HB2' ' HB3' ' A' ' 62' ' ' GLU . 11.9 ttt180 -82.26 -59.02 2.69 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.556 178.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.14 -47.88 34.46 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.704 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.603 HD21 ' HA ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -62.0 -54.97 34.2 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.755 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -41.59 -51.77 3.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.443 178.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -71.94 -31.55 66.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.749 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.836 HD13 HD13 ' A' ' 96' ' ' LEU . 1.1 mt -59.19 -40.92 87.22 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.147 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -62.91 -33.13 74.68 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.503 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.88 -41.11 60.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.433 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.5 tp -57.5 -40.92 79.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.774 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.421 ' HA ' HG12 ' A' ' 77' ' ' VAL . 4.5 tm0? -60.6 -48.9 79.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.173 178.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -64.09 -24.41 67.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.959 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.75 ' HA ' HD12 ' A' ' 79' ' ' ILE . 30.3 mttp -81.18 -51.6 8.25 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.161 0.505 . . . . 0.0 110.173 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 74' ' ' GLN . 9.5 p -60.89 -26.5 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.583 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' A' ' 80' ' ' LYS . 4.6 mt-10 -59.64 -49.22 78.6 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.23 178.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.75 HD12 ' HA ' ' A' ' 76' ' ' LYS . 2.8 mt -60.4 3.19 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.398 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' A' ' 78' ' ' GLU . 1.5 ptpt 79.69 108.32 0.07 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.75 0.786 . . . . 0.0 111.305 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.617 ' HB3' HD23 ' A' ' 82' ' ' LEU . 2.7 mt-30 -166.11 -54.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.663 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.617 HD23 ' HB3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -124.97 55.39 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.508 -179.34 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -63.29 -36.76 84.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.064 0.459 . . . . 0.0 110.37 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -67.54 -44.37 78.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.619 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.519 ' O ' HG23 ' A' ' 89' ' ' VAL . 7.1 t80 -52.13 -47.5 65.33 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.961 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 24.8 t-105 -57.77 -43.24 85.38 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.417 ' O ' HG12 ' A' ' 90' ' ' VAL . 1.7 mm-40 -65.29 -41.19 94.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.053 0.454 . . . . 0.0 110.146 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 7.1 mt -73.75 -19.66 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.376 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 85' ' ' PHE . 4.0 t -78.25 -41.23 26.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.265 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' ' 87' ' ' GLU . 9.5 p -73.96 -29.72 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.062 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -75.18 -50.86 14.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.689 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -57.49 -18.65 19.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.654 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.41 -24.48 31.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.279 -0.963 . . . . 0.0 113.976 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 89' ' ' VAL . 1.1 pt -46.7 112.48 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 117.563 0.681 . . . . 0.0 110.837 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.494 ' HA ' HD11 ' A' ' 116' ' ' LEU . 43.8 p -93.52 -167.21 1.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.974 -178.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.836 HD13 HD13 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -88.83 -163.02 0.92 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.686 -179.103 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.551 HG21 ' ND2' ' A' ' 67' ' ' ASN . 1.2 mp -108.76 109.97 30.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.021 0.438 . . . . 0.0 111.255 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.13 137.02 43.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.767 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.748 ' H ' ' HB ' ' A' ' 107' ' ' VAL . 4.1 mtmt -54.08 -31.13 50.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 0.0 110.77 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -72.25 -30.28 64.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.45 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -67.03 -8.88 33.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.052 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -147.14 -127.58 0.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.523 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 97.3 p -89.51 153.95 20.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.741 0.305 . . . . 0.0 110.846 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 105.29 -142.84 15.58 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.705 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.529 ' H ' ' HD2' ' A' ' 99' ' ' LYS . 29.7 m -119.98 -116.52 0.32 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.7 t -123.94 88.51 2.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.745 0.307 . . . . 0.0 110.231 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.748 ' HB ' ' H ' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -45.13 150.13 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.877 -179.851 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.7 t -47.88 150.88 1.01 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.551 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.697 ' HB1' ' HB2' ' A' ' 113' ' ' LYS . . . -69.99 -27.07 64.4 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.102 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.406 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 22.8 mt-10 -44.42 -21.86 0.06 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.551 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 1.9 tt0 -88.95 -59.86 2.11 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.951 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.439 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -78.55 -33.0 48.12 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -178.331 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.697 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 11.8 tttm -87.64 -42.62 12.55 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -178.095 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.406 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -70.17 -33.34 71.64 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -178.439 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.407 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . 18.1 m-85 -79.26 -47.14 16.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.737 0.303 . . . . 0.0 111.329 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.494 HD11 ' HA ' ' A' ' 95' ' ' THR . 0.4 OUTLIER -87.37 57.09 4.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.88 0.372 . . . . 0.0 110.842 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -94.23 151.51 39.58 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.04 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.62 176.56 6.5 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.497 2.131 . . . . 0.0 112.316 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -148.64 143.86 26.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.978 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 112.577 -0.209 . . . . 0.0 112.577 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.3 164.37 3.93 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.64 2.227 . . . . 0.0 112.394 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.2 t -137.3 114.17 12.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 62.79 105.33 0.03 OUTLIER Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.03 -33.51 26.67 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.505 2.137 . . . . 0.0 112.668 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.45 -39.14 77.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.168 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.516 ' O ' HG23 ' A' ' 11' ' ' VAL . 5.9 tt0 -71.75 -46.14 59.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.056 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -62.54 -34.27 76.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.645 ' HD1' ' HB1' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -70.04 -47.85 60.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.803 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 15.2 mtp-105 -61.24 -37.41 83.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 7' ' ' GLU . 96.8 t -71.81 -44.97 67.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.266 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.58 -28.85 67.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.439 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 9' ' ' PHE . 35.9 m -95.51 -5.6 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.695 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -100.62 -53.93 2.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.477 -179.83 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -63.48 -11.71 25.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.27 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -175.94 132.26 0.25 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -81.46 87.9 6.18 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.569 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.35 30.04 1.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m 65.08 140.4 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.303 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -79.51 63.12 4.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.425 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -129.42 -63.38 0.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.99 -44.51 89.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.645 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -61.77 -40.11 94.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.328 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.632 ' O ' HD12 ' A' ' 28' ' ' ILE . 84.1 p -70.09 -54.8 11.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.838 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -51.46 -49.58 61.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.51 -45.92 87.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.566 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.36 -49.9 73.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.789 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 24' ' ' SER . 1.5 mp -58.54 -42.38 84.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.11 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -60.56 -45.44 93.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.882 0.372 . . . . 0.0 110.257 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -57.01 -47.25 81.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.845 179.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.1 mt -56.48 -49.48 77.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.196 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.446 ' HA ' HD12 ' A' ' 35' ' ' LEU . 26.1 mt-10 -54.14 -45.34 71.96 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.661 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -59.38 -46.04 89.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.255 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -55.21 -32.0 61.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.928 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 32' ' ' GLU . 6.0 mt -72.44 -18.4 61.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.218 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -66.76 -8.98 32.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.789 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.34 110.64 14.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.558 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -78.45 64.91 3.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.087 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.413 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 5.6 mm-40 -113.77 147.4 38.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.796 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.5 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 5.5 m -60.52 -50.19 86.64 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.721 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 40' ' ' THR . 66.3 Cg_endo -73.45 -9.12 22.64 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.193 1.929 . . . . 0.0 112.619 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -85.0 -31.78 23.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.136 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -76.58 -19.59 57.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.938 0.399 . . . . 0.0 110.624 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 63.2 mtt -69.77 -30.79 68.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.354 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.87 -27.07 43.99 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.395 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.69 -52.16 53.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.975 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.496 HD11 HG21 ' A' ' 88' ' ' ILE . 6.7 mt -60.97 -38.67 79.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.164 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -24.6 66.85 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.745 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -85.92 -47.26 9.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.184 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.418 HG22 ' HA ' ' A' ' 47' ' ' ILE . 6.9 tt -64.31 -20.37 26.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 121.004 0.43 . . . . 0.0 110.477 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -78.54 -54.33 6.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.989 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.29 -31.08 69.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.661 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -77.3 -58.23 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.983 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.466 HH21 HG23 ' A' ' 94' ' ' ILE . 4.8 tmm_? -55.03 -28.73 54.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -75.18 -60.38 2.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.388 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.04 -21.27 66.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.87 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.582 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.8 -62.27 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 0.0 111.717 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.701 HD13 ' HA ' ' A' ' 63' ' ' GLU . 50.6 mm -57.02 -37.94 57.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.557 -179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.415 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 11.6 mttt -55.91 -44.41 78.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.415 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 2.8 p90 -176.3 89.11 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 121.171 0.51 . . . . 0.0 111.251 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.582 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -175.18 -98.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.312 179.625 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -129.65 66.2 1.47 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.937 0.399 . . . . 0.0 110.822 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.701 ' HA ' HD13 ' A' ' 58' ' ' ILE . 8.1 pt-20 -51.1 -36.77 42.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.711 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.573 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 56.6 mt-30 -69.28 -23.41 63.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.84 0.352 . . . . 0.0 111.278 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 65' ' ' ARG . 8.6 ttt180 -71.49 -23.7 61.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.232 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.414 ' HZ ' HG12 ' A' ' 50' ' ' ILE . 19.1 t80 -87.57 -46.05 9.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.732 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.573 ' ND2' ' HA ' ' A' ' 64' ' ' GLN . 4.6 p30 -67.22 -18.7 65.35 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -75.51 -57.53 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.252 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -63.54 -32.25 73.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.576 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.107 HD13 HD13 ' A' ' 96' ' ' LEU . 5.4 mt -62.07 -50.82 70.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.303 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -57.31 -47.84 80.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.322 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.99 -48.82 64.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.819 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 27.6 tp -52.88 -53.26 51.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.331 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.508 ' O ' HG13 ' A' ' 77' ' ' VAL . 10.2 tm0? -52.39 -50.37 62.57 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.51 ' O ' HG12 ' A' ' 79' ' ' ILE . 13.0 mt-10 -60.51 -32.52 71.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.247 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -70.02 -44.51 69.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.233 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.529 HG23 ' HA ' ' A' ' 83' ' ' ASN . 0.7 OUTLIER -60.96 -30.37 47.42 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 C-N-CA 120.548 -0.461 . . . . 0.0 109.803 179.72 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.427 ' C ' ' H ' ' A' ' 80' ' ' LYS . 14.1 mt-10 -66.34 -33.98 76.95 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.51 HG12 ' O ' ' A' ' 75' ' ' GLU . 19.0 mm -65.76 -0.05 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.291 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.427 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 74.77 111.32 0.07 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.429 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.533 ' HB3' HD23 ' A' ' 82' ' ' LEU . 0.9 OUTLIER 172.12 -36.31 0.0 OUTLIER 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.175 -179.667 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -147.14 43.79 1.14 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.052 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.529 ' HA ' HG23 ' A' ' 77' ' ' VAL . 3.7 t-20 -64.12 -14.53 55.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.061 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.54 -34.4 35.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.334 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.432 ' O ' HG23 ' A' ' 89' ' ' VAL . 14.0 t80 -62.9 -30.19 71.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.59 0.233 . . . . 0.0 110.98 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.606 ' HH2' HD21 ' A' ' 96' ' ' LEU . 35.8 t-105 -76.1 -48.33 21.13 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.743 0.306 . . . . 0.0 110.419 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -61.35 -19.71 62.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.088 0.47 . . . . 0.0 109.803 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.496 HG21 HD11 ' A' ' 47' ' ' ILE . 52.5 mt -85.1 -57.82 4.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.595 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.568 HG13 HD12 ' A' ' 94' ' ' ILE . 24.3 t -47.2 -33.39 2.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.392 178.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.2 p -87.23 -39.91 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.846 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.489 ' HB2' ' HA ' ' A' ' 88' ' ' ILE . 2.0 mt-30 -46.46 -30.4 2.16 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.329 178.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.74 -44.97 9.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.208 0.528 . . . . 0.0 109.626 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 120.83 34.19 0.93 Allowed Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.429 -0.805 . . . . 0.0 113.367 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.568 HD12 HG13 ' A' ' 89' ' ' VAL . 14.8 mt -78.43 144.09 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.0 p -95.01 -167.28 1.6 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.247 0.546 . . . . 0.0 112.26 -178.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 1.107 HD13 HD13 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -115.68 11.79 15.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.109 -179.332 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.645 ' HB ' ' O ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER 83.3 126.63 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 O-C-N 124.148 0.905 . . . . 0.0 109.934 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.24 157.35 27.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.094 0.473 . . . . 0.0 112.115 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.484 ' N ' ' HB ' ' A' ' 107' ' ' VAL . 10.9 ttmt -34.79 -84.28 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.609 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.557 ' C ' ' H ' ' A' ' 102' ' ' ALA . 33.4 tt0 -59.5 -15.13 15.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.918 -178.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -69.85 21.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 0.0 110.901 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.557 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -136.88 -59.46 0.71 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.761 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.2 -35.88 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.709 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 160.77 46.14 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.241 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.822 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.467 ' O ' ' HA ' ' A' ' 99' ' ' LYS . 69.8 m -121.24 127.55 51.53 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.992 0.425 . . . . 0.0 111.397 -179.325 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.461 ' HA ' ' HG3' ' A' ' 99' ' ' LYS . 50.3 m -55.87 134.03 51.7 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.04 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.484 ' HB ' ' N ' ' A' ' 99' ' ' LYS . 40.7 t -135.5 117.54 21.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.0 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.47 HG23 ' H ' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -47.91 150.1 1.2 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.667 -178.681 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.26 -12.5 59.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.285 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.47 ' H ' HG23 ' A' ' 108' ' ' THR . 27.6 mt-10 -78.49 -16.6 57.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.204 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.456 ' H ' HG23 ' A' ' 108' ' ' THR . 4.1 tt0 -81.53 -48.78 11.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.315 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.543 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.06 -33.58 19.46 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -178.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -85.2 -48.8 8.77 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.11 -40.59 96.4 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.474 ' CD2' HD11 ' A' ' 96' ' ' LEU . 17.2 m-85 -69.27 -48.03 62.88 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 70.3 mt -81.04 145.79 30.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.953 0.406 . . . . 0.0 111.165 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.463 ' HB1' ' HD2' ' A' ' 118' ' ' PRO . . . -117.56 160.06 39.58 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.686 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.463 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 7.5 Cg_endo -49.91 96.6 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.53 2.154 . . . . 0.0 111.969 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -51.83 -59.95 3.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.116 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.939 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 112.554 -0.218 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.32 158.54 12.1 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.628 2.219 . . . . 0.0 112.331 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.8 t 56.78 83.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.4 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 1.9 t-20 -116.94 142.2 29.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 4' ' ' ASN . 44.5 Cg_exo -57.07 -39.15 93.23 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.559 2.173 . . . . 0.0 112.386 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.92 -30.1 66.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.194 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.46 ' O ' HG22 ' A' ' 11' ' ' VAL . 36.2 mt-10 -73.22 -52.35 14.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -57.06 -29.85 63.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 179.864 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.521 ' HB2' HD23 ' A' ' 27' ' ' LEU . 62.7 t80 -78.57 -46.82 18.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.575 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -57.88 -34.78 70.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 7' ' ' GLU . 18.4 m -79.83 -43.28 22.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.112 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 8' ' ' ASN . 0.1 OUTLIER -58.53 -33.07 69.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.956 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.473 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 30.8 m -87.98 -1.86 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.121 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -129.72 38.37 3.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.634 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.445 ' H ' ' HG3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -116.26 -47.75 2.74 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.668 0.271 . . . . 0.0 111.265 179.608 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.3 -39.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.886 0.374 . . . . 0.0 110.178 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.561 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 10.5 mttt -132.48 -156.2 0.73 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.286 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 17' ' ' LYS . . . 84.18 -54.0 0.13 Allowed 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.54 0.525 . . . . 0.0 110.481 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.1 m 49.26 -81.43 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.277 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.511 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -167.97 30.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.37 -179.052 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -114.38 -77.89 0.58 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.767 0.318 . . . . 0.0 111.083 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -64.38 -41.72 96.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.467 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . . . -68.44 -29.28 67.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.096 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.0 m -70.59 -57.02 5.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.483 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.428 ' O ' HG22 ' A' ' 28' ' ' ILE . 34.0 m-80 -54.15 -43.01 70.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.44 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -59.5 -47.09 86.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.359 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.521 HD23 ' HB2' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -57.25 -47.94 80.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.698 179.47 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.428 HG22 ' O ' ' A' ' 25' ' ' ASN . 0.9 OUTLIER -61.9 -35.45 68.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.899 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -64.69 -45.08 88.15 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.902 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -44.37 90.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.623 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 98.5 mt -57.15 -50.28 77.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.017 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -54.26 -44.62 71.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.638 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -59.15 -46.09 89.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.292 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -55.83 -31.53 62.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.884 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.8 mt -74.55 -18.21 60.62 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.054 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -66.29 -6.48 14.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.757 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.76 113.39 16.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.558 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -78.61 62.61 3.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.284 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.541 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 6.6 mm-40 -119.34 143.76 47.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.718 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.532 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 3.5 m -58.77 -49.79 91.5 Favored Pre-proline 0 CA--C 1.533 0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.71 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.541 ' HD2' ' HB3' ' A' ' 39' ' ' GLU . 25.9 Cg_exo -63.03 -15.01 45.16 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.185 1.923 . . . . 0.0 112.274 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -86.37 -35.62 19.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.003 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -68.32 -26.03 65.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.746 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 60.4 mtt -67.53 -33.17 74.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.427 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -29.5 61.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.674 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -52.0 44.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.183 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.2 mt -58.68 -41.55 82.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.173 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -25.05 67.34 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.185 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.9 m -82.41 -41.25 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.317 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.433 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 1.6 tt -70.71 -25.56 26.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.683 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -79.29 -29.98 42.73 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.83 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.43 -34.55 31.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.139 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -77.46 -50.26 13.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.727 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 2.1 tmt_? -52.27 -45.21 65.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.302 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -64.13 -53.72 45.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.543 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -64.2 -22.01 66.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.5 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.555 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.12 -59.24 2.35 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.196 -179.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.0 pp -56.81 -40.07 68.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.754 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.45 ' HB3' ' CD1' ' A' ' 60' ' ' PHE . 59.5 mttt -51.95 -55.01 22.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.625 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 59' ' ' LYS . 21.8 p90 -178.84 86.21 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 121.247 0.546 . . . . 0.0 110.836 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.555 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -167.73 -100.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.199 179.743 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -130.9 64.17 1.58 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.964 0.412 . . . . 0.0 110.941 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.92 -37.04 63.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.291 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.851 ' HA ' HD22 ' A' ' 67' ' ' ASN . 1.7 tt0 -63.68 -24.24 67.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.866 0.365 . . . . 0.0 111.049 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 65' ' ' ARG . 1.3 ttt180 -73.0 -20.8 60.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.967 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.26 -48.26 7.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.542 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.851 HD22 ' HA ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -63.11 -18.3 63.27 Favored 'General case' 0 CA--C 1.521 -0.155 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.563 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -77.88 -57.41 3.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.594 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -66.1 -29.06 69.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.283 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.719 HD13 HD13 ' A' ' 96' ' ' LEU . 7.0 mt -67.41 -51.78 47.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.867 0.365 . . . . 0.0 110.567 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -56.26 -43.86 79.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.989 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.4 -45.5 65.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.76 ' O ' HG13 ' A' ' 77' ' ' VAL . 28.3 tp -55.87 -52.72 63.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.901 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -54.69 32.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.488 ' O ' HD12 ' A' ' 79' ' ' ILE . 12.1 mt-10 -58.8 -43.39 90.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.227 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -61.62 -58.42 8.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.337 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.76 HG13 ' O ' ' A' ' 73' ' ' LEU . 1.1 m -64.11 -17.93 21.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.851 0.358 . . . . 0.0 110.916 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.38 -56.65 4.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.219 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.488 HD12 ' O ' ' A' ' 75' ' ' GLU . 2.6 mt -75.62 52.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.003 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.41 111.46 0.06 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.376 0.608 . . . . 0.0 111.686 178.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.436 ' HB2' ' HA ' ' A' ' 77' ' ' VAL . 0.1 OUTLIER 174.59 -83.54 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.052 179.333 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.77 72.37 1.33 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.846 0.355 . . . . 0.0 111.311 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -71.06 -14.83 62.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.111 0.481 . . . . 0.0 110.316 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -65.9 -44.79 84.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.054 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -55.63 -30.49 61.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.813 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -80.39 -42.13 23.37 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.707 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 25.1 mt-10 -61.99 -24.84 67.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.209 0.528 . . . . 0.0 109.726 179.151 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.4 mt -85.53 -57.74 4.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.707 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.622 HG13 ' HB ' ' A' ' 94' ' ' ILE . 3.5 t -46.77 -33.03 1.97 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.35 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.0 p -88.09 -38.87 12.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.73 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 29.6 tt0 -47.02 -30.69 2.79 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.151 178.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.74 -45.29 9.41 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 123.53 16.5 3.41 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.265 -0.88 . . . . 0.0 113.203 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.622 ' HB ' HG13 ' A' ' 89' ' ' VAL . 26.4 mt -54.09 137.68 14.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.843 0.321 . . . . 0.0 110.179 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.518 ' HA ' HD11 ' A' ' 116' ' ' LEU . 31.0 p -99.89 -167.59 1.48 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.224 0.535 . . . . 0.0 112.067 -178.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.719 HD13 HD13 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -116.17 -176.26 2.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.777 -179.484 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.539 ' O ' HG11 ' A' ' 107' ' ' VAL . 1.7 mp -78.39 112.01 15.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 178.223 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.456 ' HA ' HG12 ' A' ' 107' ' ' VAL . 0.2 OUTLIER -120.54 159.66 24.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.806 0.336 . . . . 0.0 111.748 -179.375 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -36.11 -76.96 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.619 179.478 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -63.99 -20.53 65.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.532 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -76.08 -9.43 58.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.773 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -154.3 133.8 12.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.955 0.407 . . . . 0.0 111.73 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.412 ' HB3' ' H ' ' A' ' 104' ' ' GLY . 18.0 m 53.24 -164.15 0.09 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.432 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.412 ' H ' ' HB3' ' A' ' 103' ' ' SER . . . -76.66 72.85 1.95 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.213 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 99' ' ' LYS . 5.5 t 46.79 61.41 2.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.639 0.257 . . . . 0.0 111.394 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.462 ' O ' HG23 ' A' ' 107' ' ' VAL . 0.2 OUTLIER -126.94 97.09 4.84 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.539 HG11 ' O ' ' A' ' 97' ' ' ILE . 1.0 OUTLIER 151.12 121.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.939 0.895 . . . . 0.0 110.21 178.584 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.3 t -58.85 150.51 23.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.322 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.43 ' HA ' HG23 ' A' ' 98' ' ' THR . . . -78.73 -22.95 45.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.386 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 5.1 mt-10 -42.17 -25.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.634 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -83.49 -48.55 10.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.208 0.527 . . . . 0.0 110.586 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.567 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -71.37 -21.78 61.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.873 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -88.28 -49.36 7.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.978 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -68.2 -29.04 67.8 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.488 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.546 ' CD2' HD11 ' A' ' 96' ' ' LEU . 6.5 m-85 -72.97 -47.2 47.46 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.518 HD11 ' HA ' ' A' ' 95' ' ' THR . 2.7 mt -76.18 -30.42 58.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.237 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -92.28 151.87 41.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.063 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.03 174.79 10.75 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.445 2.097 . . . . 0.0 112.28 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 36.6 tttt -111.0 -52.12 2.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.935 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.157 0 CA-C-O 120.191 -0.227 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.49 153.85 27.08 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.583 2.189 . . . . 0.0 112.345 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.1 m -104.14 113.63 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -126.39 140.97 38.59 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.715 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.55 -35.55 81.06 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.452 2.101 . . . . 0.0 112.215 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.67 -23.66 65.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.551 ' O ' HG23 ' A' ' 11' ' ' VAL . 40.7 mt-10 -85.36 -43.43 13.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -59.47 -50.87 72.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.668 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.546 ' HD1' ' HB1' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -56.48 -47.0 80.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.737 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.419 ' HA ' HG22 ' A' ' 13' ' ' VAL . 71.0 mtt180 -63.92 -29.26 70.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.088 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 7' ' ' GLU . 28.7 t -74.34 -42.96 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.439 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.752 HD12 HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -72.27 -26.81 62.13 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.322 -179.523 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.752 HG13 HD12 ' A' ' 12' ' ' LEU . 19.0 m -94.74 -3.19 10.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.779 0.323 . . . . 0.0 111.051 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -63.16 -10.82 16.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.761 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.593 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -116.28 -50.16 2.66 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.246 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.593 ' HB3' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER 131.67 6.46 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.565 1.146 . . . . 0.0 109.407 179.59 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -68.02 -35.74 78.79 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.718 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 19' ' ' SER . . . -93.51 -11.7 31.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.502 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.453 ' O ' ' O ' ' A' ' 18' ' ' ALA . 5.2 t 52.08 153.48 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.348 0.594 . . . . 0.0 112.468 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -80.56 48.06 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.655 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -131.06 -66.72 0.73 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.82 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -69.68 -40.99 76.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.673 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.546 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -67.13 -33.03 74.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.99 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 p -73.95 -56.72 4.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.714 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.4 ' O ' HG22 ' A' ' 28' ' ' ILE . 15.4 m-80 -52.62 -44.8 66.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.905 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -62.04 -43.98 97.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.609 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -57.96 -46.45 85.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.706 179.556 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.4 HG22 ' O ' ' A' ' 25' ' ' ASN . 1.1 tp -65.15 -34.32 69.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.811 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -45.16 85.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.939 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -58.81 -44.43 90.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.834 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.0 mt -58.73 -50.03 80.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.201 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.605 ' HA ' HD12 ' A' ' 35' ' ' LEU . 31.5 mt-10 -54.05 -45.39 71.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.74 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -58.95 -46.04 89.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.297 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -55.47 -32.38 62.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.733 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.605 HD12 ' HA ' ' A' ' 32' ' ' GLU . 4.0 mt -79.85 -18.76 49.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.834 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -79.63 -1.34 37.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.18 123.1 31.21 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.684 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -72.43 114.93 11.08 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.677 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -164.28 155.06 15.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.798 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.509 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 5.7 m -81.07 -49.53 1.02 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.691 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.509 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 7.4 Cg_exo -73.19 -1.06 10.01 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.495 2.13 . . . . 0.0 112.437 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -86.24 -47.57 9.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.164 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -61.65 -34.48 75.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.903 0.382 . . . . 0.0 110.703 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 61.9 mtt -65.32 -32.6 74.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.313 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -77.3 -28.04 53.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.439 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.69 -51.09 60.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.14 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.528 HD11 HG21 ' A' ' 88' ' ' ILE . 4.0 mt -60.24 -41.13 85.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.267 178.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.54 -21.86 65.87 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.857 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.1 m -86.44 -46.66 10.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.166 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.5 tt -64.27 -21.19 28.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 121.049 0.452 . . . . 0.0 110.284 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.25 -54.46 6.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.096 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.13 71.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.575 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.447 ' HB3' ' HZ ' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -72.73 -55.08 7.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.01 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -56.45 -41.81 77.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.196 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 14.4 mt-10 -61.44 -57.49 11.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.482 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.46 -27.8 67.33 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.623 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -87.28 -62.19 1.56 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.507 HD13 ' HA ' ' A' ' 63' ' ' GLU . 37.0 mm -54.09 -38.0 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.896 -178.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.409 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 35.4 mttt -58.51 -42.83 88.55 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.13 -0.228 . . . . 0.0 110.988 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.409 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 19.5 p90 -172.7 78.0 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.929 0.395 . . . . 0.0 111.822 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.623 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -176.8 -106.52 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.577 179.42 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.682 ' HB3' ' HB3' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -103.42 82.87 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.404 . . . . 0.0 111.372 -178.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.507 ' HA ' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -81.12 -49.48 10.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.613 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.579 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 75.1 mt-30 -69.97 -21.1 63.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.794 0.331 . . . . 0.0 111.518 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.682 ' HB3' ' HB3' ' A' ' 62' ' ' GLU . 2.4 ttt180 -74.22 -19.38 60.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.118 0.485 . . . . 0.0 109.949 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.47 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -87.16 -45.91 10.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.221 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.579 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.8 OUTLIER -68.69 -18.58 64.28 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.709 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -75.59 -58.32 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.573 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -64.93 -29.7 70.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.857 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.815 HD13 HD13 ' A' ' 96' ' ' LEU . 5.2 mt -67.84 -47.35 69.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.567 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -56.08 -42.38 76.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.78 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.39 -44.63 58.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.001 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.645 ' O ' HG12 ' A' ' 77' ' ' VAL . 35.8 tp -56.09 -49.36 74.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.635 ' O ' HG13 ' A' ' 77' ' ' VAL . 4.7 tm0? -53.82 -49.75 67.68 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.71 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.504 ' O ' HG12 ' A' ' 79' ' ' ILE . 33.2 mt-10 -65.15 -28.38 69.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.237 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -71.11 -46.82 60.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.085 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.645 HG12 ' O ' ' A' ' 73' ' ' LEU . 0.2 OUTLIER -59.19 -31.9 47.02 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.532 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -64.98 -32.51 74.26 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 75' ' ' GLU . 14.9 mm -67.99 -0.6 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.342 178.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.18 111.16 0.07 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.72 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.43 ' HB3' HD23 ' A' ' 82' ' ' LEU . 0.8 OUTLIER 176.31 -43.71 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.825 -179.727 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.43 HD23 ' HB3' ' A' ' 81' ' ' GLN . 0.1 OUTLIER -141.47 47.51 1.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.78 -179.813 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.543 ' HA ' HG23 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -65.68 -14.44 61.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.871 179.786 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 -37.24 43.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.966 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.467 ' O ' HG23 ' A' ' 89' ' ' VAL . 14.8 t80 -65.88 -25.87 67.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.865 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.417 ' O ' HG12 ' A' ' 90' ' ' VAL . 20.9 t-105 -75.79 -52.98 9.21 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.605 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.09 -18.5 60.95 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.189 0.519 . . . . 0.0 110.122 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.528 HG21 HD11 ' A' ' 47' ' ' ILE . 44.2 mt -85.38 -60.81 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.166 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 85' ' ' PHE . 48.8 t -49.2 -31.61 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.333 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.517 HG13 ' N ' ' A' ' 91' ' ' GLN . 12.0 p -78.58 -50.13 19.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.758 0.313 . . . . 0.0 110.492 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.517 ' N ' HG13 ' A' ' 90' ' ' VAL . 30.2 tt0 -53.47 -35.8 60.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.958 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.99 5.43 2.03 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.341 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.73 -1.88 56.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.894 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 9.3 mt -70.83 137.81 23.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.751 0.31 . . . . 0.0 110.675 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.4 t -130.7 165.93 21.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.026 0.441 . . . . 0.0 111.587 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.815 HD13 HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -57.94 177.1 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.548 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.505 ' O ' HG11 ' A' ' 107' ' ' VAL . 1.3 mp -74.79 124.88 33.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.141 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.77 145.3 30.56 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.535 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.577 ' HG3' ' HA ' ' A' ' 106' ' ' SER . 22.5 tttt -31.05 -86.06 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.912 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.53 ' C ' ' H ' ' A' ' 102' ' ' ALA . 2.0 pt-20 -61.54 -11.68 12.08 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -70.37 21.87 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.712 0.291 . . . . 0.0 111.187 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.53 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -136.28 -59.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.855 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.7 p -178.65 -39.43 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.71 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 164.86 49.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.821 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.9 m -122.58 127.09 48.98 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.034 0.445 . . . . 0.0 111.614 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.577 ' HA ' ' HG3' ' A' ' 99' ' ' LYS . 28.9 p -57.67 137.35 56.54 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.56 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.505 HG11 ' O ' ' A' ' 97' ' ' ILE . 4.2 t -138.3 132.35 41.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.278 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.38 149.57 10.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.539 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.61 -12.41 58.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.84 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -84.58 -16.51 41.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.148 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.769 ' HG3' HD12 ' A' ' 96' ' ' LEU . 5.9 tt0 -81.2 -46.6 14.59 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.992 -178.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.432 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.84 -45.68 10.09 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -178.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -78.31 -46.92 18.91 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -177.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.9 tmtp? -65.96 -40.52 91.36 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -62.16 -47.49 84.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.655 0.264 . . . . 0.0 111.467 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.0 mp -100.48 41.5 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.169 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.81 151.93 86.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.006 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.04 -59.05 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.526 2.15 . . . . 0.0 112.363 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -78.37 154.07 31.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.69 152.13 36.07 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.633 2.222 . . . . 0.0 112.313 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.3 t -98.18 116.19 40.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -126.32 143.01 44.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -56.35 -33.14 90.84 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.453 2.102 . . . . 0.0 112.271 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.39 -24.76 60.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.473 ' O ' HG22 ' A' ' 11' ' ' VAL . 33.4 mt-10 -78.4 -48.39 15.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.95 -27.43 68.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.58 ' HD1' ' HB1' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -81.82 -46.71 13.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.688 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 14.1 mtp180 -61.47 -32.78 72.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.316 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 7' ' ' GLU . 27.5 m -78.47 -42.66 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.702 0.287 . . . . 0.0 111.398 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.412 ' N ' HG23 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -63.19 -27.14 69.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.91 -179.873 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 9' ' ' PHE . 25.1 m -95.01 -1.88 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.095 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 11.2 tttt -123.4 42.49 3.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 11.3 mm100 -116.08 -47.56 2.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.899 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.528 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -179.84 -40.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.422 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.528 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 4.3 mptt -156.18 152.94 28.47 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.892 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 179.61 -29.23 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.69 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m 63.81 130.6 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.022 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -77.02 58.67 1.55 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.978 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -133.95 -62.05 0.78 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.731 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -68.7 -43.52 75.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.639 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -66.95 -31.33 71.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.87 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.62 ' O ' HD12 ' A' ' 28' ' ' ILE . 49.8 m -74.2 -57.87 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.514 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -51.54 -42.68 61.96 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.768 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -63.24 -45.33 92.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.38 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.422 ' HA ' HD22 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -55.89 -46.26 78.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.451 179.424 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.62 HD12 ' O ' ' A' ' 24' ' ' SER . 1.7 mp -62.78 -41.94 94.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.673 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -59.67 -43.79 93.84 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.204 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -59.83 -48.57 81.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.925 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 98.3 mt -55.33 -49.45 72.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.185 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -54.78 -45.04 74.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.66 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -58.41 -45.88 87.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.215 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -56.72 -31.21 64.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.789 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.6 mt -77.12 -17.92 58.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.959 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -65.94 -4.97 7.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.75 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.53 116.47 18.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.405 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -77.23 58.78 1.66 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.376 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.501 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 6.6 mm-40 -120.35 136.77 54.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.599 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.518 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 2.4 m -53.65 -49.76 87.11 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.779 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.518 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 32.1 Cg_exo -58.89 -21.16 56.2 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.178 1.918 . . . . 0.0 112.479 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -84.76 -36.71 21.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.147 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -70.13 -24.75 63.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.939 0.399 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 64.4 mtt -68.41 -32.24 72.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.344 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.14 -30.51 62.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.546 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.6 m -64.4 -50.93 65.71 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.096 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.515 HD11 HG21 ' A' ' 88' ' ' ILE . 6.4 mt -59.62 -40.66 82.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.981 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -26.84 68.03 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.136 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -81.34 -40.35 23.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.348 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.2 tt -69.88 -27.25 32.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.752 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.4 ' HD3' HH11 ' A' ' 51' ' ' ARG . 5.3 mtm180 -77.24 -31.32 55.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.792 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.64 -37.13 28.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.339 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -72.7 -48.38 39.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.496 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.463 HH21 HD12 ' A' ' 97' ' ' ILE . 9.3 mtp180 -51.5 -47.6 63.19 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.278 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -62.64 -45.56 92.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.436 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.53 -36.4 83.69 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -178.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.623 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.65 -54.06 4.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 111.843 -178.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.497 HG23 ' HA ' ' A' ' 102' ' ' ALA . 64.9 mt -52.21 -46.07 44.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.248 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.496 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 3.8 mttp -50.71 -47.3 59.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.693 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.496 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 21.8 p90 179.77 95.85 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.131 0.491 . . . . 0.0 111.071 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.623 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.6 OUTLIER -179.11 -100.28 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.276 179.596 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -131.69 63.35 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.888 0.375 . . . . 0.0 111.296 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -56.05 -31.38 63.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.042 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.588 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 69.3 mt-30 -72.14 -21.95 61.38 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -72.89 -18.97 61.36 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.05 -43.59 12.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.321 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.588 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.6 OUTLIER -69.64 -18.47 63.59 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.652 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -79.59 -58.42 3.2 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.463 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -58.94 -29.6 67.25 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.652 178.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.451 ' CD2' HD22 ' A' ' 73' ' ' LEU . 11.3 mt -76.38 -41.83 46.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.746 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.429 ' HA ' ' HZ ' ' A' ' 115' ' ' PHE . 30.1 mttt -53.13 -44.72 67.95 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.729 178.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.34 -42.22 62.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.38 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.451 HD22 ' CD2' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -49.97 -41.89 47.65 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.181 179.222 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.406 ' HB2' ' HE2' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -62.54 -48.34 79.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.327 179.1 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.418 ' O ' HD12 ' A' ' 79' ' ' ILE . 26.3 mt-10 -65.97 -23.57 66.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.888 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.654 ' HA ' HD12 ' A' ' 79' ' ' ILE . 12.9 tttm -81.48 -51.76 7.95 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.441 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 73' ' ' LEU . 7.2 p -58.84 -28.33 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.037 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -61.76 -46.45 89.54 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' A' ' 76' ' ' LYS . 4.4 mt -57.09 -9.51 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.482 178.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 79.12 116.54 0.06 Allowed 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.073 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.614 ' HB3' HD23 ' A' ' 82' ' ' LEU . 1.7 mt-30 175.43 -34.6 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.192 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.614 HD23 ' HB3' ' A' ' 81' ' ' GLN . 0.1 OUTLIER -136.62 40.34 2.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.721 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -63.91 -14.84 56.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.84 -37.49 55.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.024 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -66.18 -25.67 67.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.997 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -76.5 -56.64 4.44 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.104 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 38.6 mt-10 -62.18 -18.21 60.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.677 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.515 HG21 HD11 ' A' ' 47' ' ' ILE . 33.2 mt -85.24 -60.4 2.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.31 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.502 HG13 ' HB ' ' A' ' 94' ' ' ILE . 25.1 t -47.5 -31.39 2.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.537 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.3 p -87.53 -40.71 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.809 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 1.1 mt-30 -46.39 -28.63 1.4 Allowed 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.424 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.59 -44.78 9.32 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 178.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 120.62 35.28 0.86 Allowed Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.386 -0.825 . . . . 0.0 113.179 177.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.502 ' HB ' HG13 ' A' ' 89' ' ' VAL . 5.8 mt -89.17 153.36 3.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.619 0.247 . . . . 0.0 110.356 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.564 ' HA ' HD11 ' A' ' 116' ' ' LEU . 16.8 p -136.13 174.55 10.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.872 0.367 . . . . 0.0 111.167 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.559 HD22 ' HG3' ' A' ' 111' ' ' GLU . 0.1 OUTLIER -76.27 -169.93 1.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.272 0.558 . . . . 0.0 111.161 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.548 ' O ' HG11 ' A' ' 107' ' ' VAL . 1.3 mp -72.0 117.77 15.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.878 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -103.87 152.01 22.44 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.255 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.567 ' HG2' ' H ' ' A' ' 107' ' ' VAL . 30.6 mttm -19.12 -98.33 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.083 -0.962 . . . . 0.0 113.539 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -70.98 -3.21 18.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.675 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -79.43 3.5 18.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.202 0.525 . . . . 0.0 109.674 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.497 ' HA ' HG23 ' A' ' 58' ' ' ILE . . . -128.72 -79.42 0.57 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.416 ' C ' ' H ' ' A' ' 105' ' ' SER . 3.5 t 165.19 -32.73 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.737 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.94 10.79 0.31 Allowed Glycine 0 CA--C 1.519 0.336 0 CA-C-N 115.98 -0.555 . . . . 0.0 114.003 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 103' ' ' SER . 6.5 m 66.26 -101.15 0.07 Allowed 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 117.411 0.606 . . . . 0.0 111.501 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.5 p -70.48 131.18 43.65 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.412 0.625 . . . . 0.0 112.036 -179.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.567 ' H ' ' HG2' ' A' ' 99' ' ' LYS . 3.2 t -131.75 135.96 57.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.211 178.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.75 146.76 4.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.855 -0.612 . . . . 0.0 112.16 -178.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -84.28 -13.71 51.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.454 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.684 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 27.3 mt-10 -85.19 -18.42 34.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.729 -178.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.559 ' HG3' HD22 ' A' ' 96' ' ' LEU . 9.3 tt0 -82.61 -48.35 11.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.283 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -87.76 -41.15 13.51 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -87.33 -46.53 9.59 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.684 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -64.66 -40.58 95.68 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -177.786 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.429 ' HZ ' ' HA ' ' A' ' 71' ' ' LYS . 12.4 m-85 -59.29 -39.14 82.06 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.564 HD11 ' HA ' ' A' ' 95' ' ' THR . 1.6 mp -95.42 15.11 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.42 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -122.44 144.44 42.08 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.156 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -79.56 146.63 19.3 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.572 2.182 . . . . 0.0 112.496 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -90.96 120.52 32.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.62 -16.14 28.91 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.617 2.211 . . . . 0.0 112.335 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.4 p -129.28 144.47 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.4 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 1.9 t-20 -115.78 123.28 31.41 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.82 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 4' ' ' ASN . 39.1 Cg_exo -60.84 -34.66 91.07 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.588 2.192 . . . . 0.0 112.495 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.31 -30.76 67.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.195 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -81.25 -44.5 17.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.076 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -63.43 -27.61 69.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.976 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.567 ' HD1' ' HB1' ' A' ' 23' ' ' ALA . 0.7 OUTLIER -82.41 -45.71 14.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.73 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -62.69 -31.87 72.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.235 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.537 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 14.9 p -78.61 -39.96 23.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.225 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -25.88 66.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.847 0.355 . . . . 0.0 110.631 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 9' ' ' PHE . 24.3 m -96.73 -2.88 10.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.558 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -102.84 -47.03 4.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.427 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 1.3 mm100 -83.46 -0.02 48.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.928 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -169.44 128.48 0.99 Allowed 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -178.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -83.45 81.15 8.85 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.755 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.12 22.17 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.083 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m 65.13 138.02 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.278 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -79.01 57.86 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.57 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -128.26 -68.33 0.77 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.132 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.65 -46.26 90.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.063 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.567 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -60.84 -42.21 97.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.283 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.637 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.3 OUTLIER -65.36 -53.75 38.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.754 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -52.2 -49.4 63.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -56.1 -47.36 78.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.46 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.71 -49.74 72.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.54 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 24' ' ' SER . 1.7 mp -57.34 -43.31 82.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.05 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.66 -45.49 93.93 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.749 0.309 . . . . 0.0 110.281 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -55.64 -47.63 76.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.695 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 28' ' ' ILE . 71.5 mt -56.3 -49.63 75.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.229 178.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.646 ' HA ' HD12 ' A' ' 35' ' ' LEU . 30.0 mt-10 -54.18 -45.38 72.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.746 179.421 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -59.61 -47.23 86.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.259 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -54.67 -32.01 58.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.113 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 32' ' ' GLU . 2.4 mt -71.3 -18.84 62.39 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.775 0.322 . . . . 0.0 111.239 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.02 -10.85 56.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.825 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.29 109.38 13.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.683 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.425 ' HA ' ' HE2' ' A' ' 43' ' ' PHE . 3.8 t30 -76.08 62.01 1.62 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.424 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.561 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 5.8 mm-40 -120.77 161.96 20.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.564 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.561 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 21.2 m -72.05 -49.01 10.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.845 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.561 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 26.8 Cg_exo -62.44 -20.93 71.98 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.192 1.928 . . . . 0.0 112.411 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -86.24 -51.33 6.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.05 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.425 ' HE2' ' HA ' ' A' ' 38' ' ' ASN . 5.5 m-85 -63.76 -28.34 69.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.575 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.7 mtt -61.41 -24.7 66.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.121 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.17 -55.43 5.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.162 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.03 -49.55 6.09 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.65 178.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.2 mt -55.23 -49.36 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.068 0.461 . . . . 0.0 110.216 178.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.46 -18.91 65.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.294 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -81.74 -48.05 12.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.078 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.73 -23.23 30.43 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.109 0 CA-C-O 121.185 0.517 . . . . 0.0 109.757 179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -77.15 -55.0 5.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.33 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.24 -33.03 71.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.251 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.401 ' HB3' ' HE1' ' A' ' 66' ' ' PHE . 2.0 t80 -76.34 -56.02 5.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.837 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 55' ' ' GLU . 4.3 ppt_? -55.16 -31.59 61.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.547 -179.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 22.4 tt0 -72.55 -54.46 9.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.753 0.311 . . . . 0.0 111.194 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.97 -20.84 66.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.565 ' HB1' ' O ' ' A' ' 62' ' ' GLU . . . -83.95 -60.34 2.14 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.133 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.428 HG23 ' O ' ' A' ' 54' ' ' ARG . 1.4 pp -57.75 -37.27 58.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.893 0.378 . . . . 0.0 110.392 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.479 ' HB3' ' CD1' ' A' ' 60' ' ' PHE . 17.7 mttt -50.78 -55.94 14.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.502 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 59' ' ' LYS . 25.5 p90 178.59 67.11 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.17 0.509 . . . . 0.0 111.309 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.521 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 4.1 m -158.66 -111.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.495 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.565 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 2.0 mm-40 -104.39 79.63 1.6 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.867 0.365 . . . . 0.0 111.309 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.426 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -80.01 -44.96 19.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.732 179.626 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.579 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 61.3 mt-30 -67.79 -24.53 65.33 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.741 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.457 ' HB3' ' HB3' ' A' ' 62' ' ' GLU . 1.8 ttt180 -72.92 -20.13 61.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.67 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.401 ' HE1' ' HB3' ' A' ' 53' ' ' PHE . 1.8 t80 -87.13 -44.82 11.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.501 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.579 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.5 OUTLIER -65.85 -18.39 65.3 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.619 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -79.05 -57.83 3.54 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.5 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -62.03 -33.42 74.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.743 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.561 HD13 HD13 ' A' ' 96' ' ' LEU . 8.6 mt -65.4 -46.1 81.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.163 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -55.97 -46.35 78.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.544 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.99 -43.25 68.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.048 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.56 ' O ' HG12 ' A' ' 77' ' ' VAL . 23.2 tp -54.46 -51.41 65.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.464 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.507 ' O ' HG13 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -49.44 -47.61 48.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.448 179.536 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -65.74 -31.79 72.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.222 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -68.8 -43.12 76.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.9 HG23 ' HA ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -68.81 -28.46 39.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.027 0.442 . . . . 0.0 110.129 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -75.77 -16.71 60.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.17 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.0 mt -120.75 -60.63 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 81' ' ' GLN . 24.2 tttt -35.99 -70.88 0.08 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -178.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.408 ' CB ' ' O ' ' A' ' 80' ' ' LYS . 0.2 OUTLIER 160.24 -21.88 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.247 0.342 . . . . 0.0 110.886 -178.167 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.521 ' HG ' ' HA ' ' A' ' 77' ' ' VAL . 0.6 OUTLIER -74.71 42.31 0.17 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.989 0.423 . . . . 0.0 111.147 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.9 ' HA ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -62.86 -19.82 64.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.925 179.831 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 -73.78 -25.39 60.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.638 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.726 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.7 t80 -60.95 -44.6 97.06 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.593 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.711 ' HB2' HG21 ' A' ' 77' ' ' VAL . 3.7 t-105 -53.37 -47.21 69.65 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.407 ' HA ' HG12 ' A' ' 90' ' ' VAL . 33.6 mt-10 -64.41 -34.02 77.21 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -74.74 -18.4 16.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.477 178.828 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 85' ' ' PHE . 75.8 t -87.41 -35.25 8.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.06 -178.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 87' ' ' GLU . 12.1 p -82.63 -36.69 13.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.816 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -58.44 -46.14 87.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.124 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.05 -1.95 6.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.751 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.66 9.07 86.4 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.025 -0.607 . . . . 0.0 113.088 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.2 mm -66.61 129.83 31.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.795 0.297 . . . . 0.0 110.72 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.417 ' HA ' HD11 ' A' ' 116' ' ' LEU . 49.1 p -121.82 149.53 43.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.495 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.73 HD12 ' HG3' ' A' ' 111' ' ' GLU . 0.3 OUTLIER -55.18 177.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.277 179.778 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.614 HG22 HG21 ' A' ' 107' ' ' VAL . 1.5 mp -74.61 121.23 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.617 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.57 142.34 33.08 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.608 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.604 ' HB3' ' H ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -36.46 -85.53 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.51 179.737 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -52.55 -18.27 1.64 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.755 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.71 13.27 2.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 110.483 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.74 21.59 6.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.6 m 60.02 76.36 0.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.993 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 64.35 36.25 92.97 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.266 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.3 113.04 15.75 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 120.943 0.401 . . . . 0.0 110.919 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.439 ' HA ' ' HB3' ' A' ' 99' ' ' LYS . 58.8 m -65.79 145.04 56.46 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.513 0.673 . . . . 0.0 111.033 -179.449 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.614 HG21 HG22 ' A' ' 97' ' ' ILE . 1.9 t -142.43 142.3 27.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.166 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.74 149.53 14.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.202 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.0 -12.96 58.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.248 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -84.56 -16.26 42.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.003 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.73 ' HG3' HD12 ' A' ' 96' ' ' LEU . 5.6 tt0 -79.74 -47.24 15.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.969 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.492 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.86 -48.25 7.96 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 48.5 tttt -70.08 -46.92 63.88 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -66.48 -35.91 81.44 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.0 0.371 . . . . 0.0 112.0 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -69.05 -47.59 64.96 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.417 HD11 ' HA ' ' A' ' 95' ' ' THR . 0.4 OUTLIER -81.69 14.97 2.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.527 -179.234 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -82.03 143.49 49.55 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.88 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.87 156.81 48.04 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.416 2.077 . . . . 0.0 112.404 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.5 mttt 52.68 76.13 0.21 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.069 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.961 179.944 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.49 -34.29 89.06 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.618 2.212 . . . . 0.0 112.315 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.3 p -78.27 117.95 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -132.49 141.55 41.66 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -57.56 -29.41 84.91 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.528 2.152 . . . . 0.0 112.37 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.45 -28.12 65.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.443 ' O ' HG23 ' A' ' 11' ' ' VAL . 18.9 mt-10 -79.84 -47.38 15.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.965 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -65.08 -27.4 68.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.63 ' O ' HG22 ' A' ' 13' ' ' VAL . 10.5 t80 -75.32 -51.89 12.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -59.96 -28.43 67.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 7' ' ' GLU . 80.1 t -83.6 -46.9 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.114 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 tt -56.68 -23.94 45.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.337 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 9' ' ' PHE . 12.4 m -94.22 -47.39 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.49 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' N ' HG23 ' A' ' 13' ' ' VAL . 11.2 tttm -86.2 52.07 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.14 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.433 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 2.2 mm100 -116.26 -48.32 2.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.022 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER 172.91 -34.95 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.734 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.488 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -167.74 143.76 4.03 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.241 -179.57 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 17' ' ' LYS . . . 174.71 -25.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.98 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 t 70.33 119.78 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.561 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -56.39 -36.64 69.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.326 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -48.94 -60.35 2.83 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -55.82 -50.75 69.67 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.59 -32.6 73.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.433 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.419 ' HB2' ' HZ ' ' A' ' 53' ' ' PHE . 6.1 p -69.65 -54.0 16.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.437 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -54.36 -46.45 72.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.557 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -58.88 -48.96 79.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -56.71 -49.3 75.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.96 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.2 tp -60.69 -36.55 71.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.201 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -64.41 -45.86 85.77 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.47 -44.49 89.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.774 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.1 mt -57.34 -50.39 77.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.148 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.531 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -54.14 -44.78 71.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.643 179.389 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -59.31 -45.92 89.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.199 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -55.37 -31.55 61.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.725 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 32' ' ' GLU . 4.3 mt -76.56 -18.56 58.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.3 -5.7 11.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.782 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.09 110.76 15.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.555 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -76.99 61.98 2.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.327 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.529 ' HB2' ' HB2' ' A' ' 42' ' ' TYR . 2.6 mt-10 -107.44 170.28 8.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.694 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.504 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 27.0 m -81.19 -49.68 1.0 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.927 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.504 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 93.5 Cg_endo -78.29 -0.51 10.77 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.208 1.939 . . . . 0.0 112.783 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.529 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 1.6 m-85 -85.8 -31.28 22.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.244 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -76.04 -23.45 55.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.897 0.38 . . . . 0.0 110.645 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 57.9 mtt -66.68 -33.53 75.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.389 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -75.89 -29.22 58.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.567 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.4 ' HB2' ' HE1' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -66.38 -51.19 59.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.191 179.747 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mt -60.07 -41.26 85.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.365 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.2 -22.98 66.36 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.948 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 m -85.74 -46.58 10.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.194 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.68 -21.18 28.0 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-O 120.993 0.425 . . . . 0.0 110.245 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.57 ' HE ' HD11 ' A' ' 94' ' ' ILE . 4.4 mtt180 -77.84 -54.18 6.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.036 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.18 -32.42 73.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.83 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.419 ' HZ ' ' HB2' ' A' ' 24' ' ' SER . 0.2 OUTLIER -73.9 -57.13 4.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.951 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.405 ' HG3' ' CZ ' ' A' ' 66' ' ' PHE . 19.8 mtp-105 -54.69 -34.53 62.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.995 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -68.59 -56.98 6.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.485 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -64.84 -23.74 67.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.697 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.567 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.68 -61.21 1.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 111.684 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.504 HG12 HG13 ' A' ' 97' ' ' ILE . 57.8 mt -56.53 -40.89 71.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.664 -179.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.495 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 1.0 OUTLIER -53.65 -46.97 70.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.858 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.495 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 18.8 p90 -174.65 89.93 0.06 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.142 0.496 . . . . 0.0 111.244 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.567 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -176.9 -98.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.336 179.66 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -132.62 65.08 1.59 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.024 0.44 . . . . 0.0 110.73 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.73 -32.89 32.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.556 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -78.33 -23.84 46.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.814 0.34 . . . . 0.0 111.221 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 -65.53 -24.69 67.18 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.492 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -89.5 -43.51 10.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.213 179.663 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -66.67 -18.07 65.17 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.628 0.727 . . . . 0.0 109.369 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -77.29 -57.83 3.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.184 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -64.65 -27.35 68.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.583 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.736 HD13 HD13 ' A' ' 96' ' ' LEU . 1.5 mt -69.22 -49.21 58.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.325 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.404 ' HA ' ' HZ ' ' A' ' 115' ' ' PHE . 42.5 mttt -54.68 -40.51 69.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.657 179.347 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.9 -44.27 32.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.407 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.71 ' O ' HG13 ' A' ' 77' ' ' VAL . 13.0 tp -57.59 -47.51 81.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -57.04 -54.44 46.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.274 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.522 ' O ' HD12 ' A' ' 79' ' ' ILE . 12.1 pt-20 -64.95 -33.41 75.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.231 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -66.25 -58.07 6.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.995 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.71 HG13 ' O ' ' A' ' 73' ' ' LEU . 1.5 m -65.88 -18.19 23.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.681 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.57 -56.1 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.328 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.522 HD12 ' O ' ' A' ' 75' ' ' GLU . 3.3 mt -77.5 56.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.0 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.11 114.14 0.05 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.363 0.601 . . . . 0.0 111.72 178.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.415 ' HB2' ' HA ' ' A' ' 77' ' ' VAL . 2.6 mt-30 169.56 -85.16 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.678 179.43 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.61 73.36 1.34 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -71.98 -15.78 62.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.652 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -65.33 -41.59 93.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.431 ' O ' HG23 ' A' ' 89' ' ' VAL . 27.5 t80 -63.22 -24.77 68.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.769 0.318 . . . . 0.0 110.646 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.421 ' O ' HG12 ' A' ' 90' ' ' VAL . 55.4 t-105 -78.4 -48.76 14.81 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.539 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -63.35 -19.78 64.93 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.294 0.569 . . . . 0.0 109.816 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 59.9 mt -85.56 -61.21 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.955 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 85' ' ' PHE . 40.1 t -48.92 -31.21 3.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.493 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 91' ' ' GLN . 14.4 p -78.7 -48.9 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.805 0.336 . . . . 0.0 110.447 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.503 ' N ' HG13 ' A' ' 90' ' ' VAL . 25.6 tt0 -55.17 -36.34 65.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.742 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.504 ' HB3' HG12 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -67.21 2.98 1.33 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.386 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.14 -1.73 73.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.265 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.57 HD11 ' HE ' ' A' ' 51' ' ' ARG . 12.1 mm -61.79 130.64 26.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 117.099 0.45 . . . . 0.0 110.777 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.559 ' HA ' HD11 ' A' ' 116' ' ' LEU . 42.3 p -119.38 145.81 45.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.369 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.736 HD13 HD13 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -48.63 172.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.62 179.578 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.675 HG22 HG21 ' A' ' 107' ' ' VAL . 1.7 mp -65.93 109.98 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.362 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.446 ' HB ' ' HG3' ' A' ' 101' ' ' GLU . 0.2 OUTLIER -91.33 134.82 34.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.54 -179.619 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.57 ' HB2' ' HA ' ' A' ' 105' ' ' SER . 0.0 OUTLIER -46.43 -52.49 12.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.712 179.51 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -62.94 -26.51 68.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.513 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.446 ' HG3' ' HB ' ' A' ' 98' ' ' THR . 8.3 mt-10 -76.84 -15.95 59.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.402 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.27 14.54 19.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.372 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 49.82 15.19 0.15 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.923 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -132.41 -6.88 2.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.594 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.57 ' HA ' ' HB2' ' A' ' 99' ' ' LYS . 11.2 t 54.12 47.43 23.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.769 0.319 . . . . 0.0 111.043 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.554 ' O ' HG23 ' A' ' 107' ' ' VAL . 2.8 t -123.3 89.71 3.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.519 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.675 HG21 HG22 ' A' ' 97' ' ' ILE . 0.9 OUTLIER -173.09 148.64 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.377 179.372 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.9 153.41 20.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.089 0.471 . . . . 0.0 112.072 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.04 -12.82 60.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.753 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.417 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 38.5 mt-10 -81.49 -17.05 49.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.602 -179.292 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.7 ' HG3' HD12 ' A' ' 96' ' ' LEU . 5.3 tt0 -86.8 -48.71 7.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.535 -179.109 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.492 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.7 -36.33 17.45 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -178.322 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -87.07 -47.59 8.79 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 2.6 tmtt? -63.12 -33.49 75.56 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -178.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.404 ' HZ ' ' HA ' ' A' ' 71' ' ' LYS . 8.7 m-85 -71.02 -47.2 60.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.691 0.281 . . . . 0.0 111.567 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.559 HD11 ' HA ' ' A' ' 95' ' ' THR . 0.5 OUTLIER -83.63 19.93 1.52 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.291 -179.593 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.08 150.82 90.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.901 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.45 159.99 51.1 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.436 2.091 . . . . 0.0 112.309 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -143.01 143.08 31.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 CA-C-O 120.109 -0.273 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -56.97 133.78 60.19 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.557 2.171 . . . . 0.0 112.288 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.0 t -125.36 -63.28 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.019 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -123.16 141.5 36.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.711 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.97 -35.89 97.8 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.492 2.128 . . . . 0.0 112.361 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.01 -38.0 82.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.229 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.554 ' O ' HG22 ' A' ' 11' ' ' VAL . 43.8 mt-10 -69.88 -49.21 54.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.135 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -58.31 -34.77 70.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.981 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.583 ' O ' HG22 ' A' ' 13' ' ' VAL . 7.4 t80 -74.1 -46.34 43.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.605 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -58.2 -40.11 80.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.467 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 7' ' ' GLU . 16.3 m -75.49 -42.79 42.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.388 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.452 ' HG ' ' HB3' ' A' ' 17' ' ' LYS . 2.1 tp -56.12 -34.68 66.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 9' ' ' PHE . 35.6 m -95.44 -13.34 8.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.277 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.542 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 2.0 tttm -65.06 -37.21 86.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.863 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.575 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 7.0 pt20 -94.5 -50.44 5.21 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.578 -179.291 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HB3' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER 135.67 28.04 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.836 0 O-C-N 124.371 1.045 . . . . 0.0 110.105 179.685 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.452 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -54.39 -81.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.143 -179.252 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.66 -78.16 0.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.341 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.427 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 3.0 t 163.26 -69.4 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.487 -179.472 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.427 ' HB2' ' O ' ' A' ' 19' ' ' SER . 7.6 t80 176.25 -51.65 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.645 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.43 -59.44 4.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.088 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.88 -50.53 68.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.728 0.299 . . . . 0.0 111.611 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.06 -32.2 73.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.1 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.5 m -68.37 -54.17 19.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.422 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -53.71 -44.75 70.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.401 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -61.47 -47.09 87.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.753 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.506 HD13 ' HD2' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -57.63 -46.93 83.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.036 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -34.65 71.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -65.45 -45.64 82.98 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.985 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -58.89 -45.23 90.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.885 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.75 -49.73 79.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.167 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.593 ' HA ' HD12 ' A' ' 35' ' ' LEU . 35.6 mt-10 -53.42 -45.53 69.41 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.623 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -59.23 -45.47 91.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.194 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -55.45 -31.18 61.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.494 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' A' ' 32' ' ' GLU . 2.6 mt -81.96 -20.01 39.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.786 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.61 -1.24 18.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.029 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.55 128.72 27.71 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -77.02 118.04 19.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.541 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -166.44 153.0 9.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.785 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.549 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 4.3 m -81.06 -50.17 0.99 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.659 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.549 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 11.5 Cg_exo -70.95 -8.38 23.48 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.364 2.043 . . . . 0.0 112.35 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -84.32 -43.72 14.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.091 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -63.91 -29.37 70.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.681 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 62.4 mtt -66.21 -32.33 73.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.365 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -76.15 -27.01 56.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.537 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.53 -52.29 33.72 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.918 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.474 ' O ' HG22 ' A' ' 50' ' ' ILE . 12.4 mt -59.6 -41.41 84.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.178 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.31 -24.43 66.42 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.88 179.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.74 -48.48 9.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.495 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.474 HG22 ' O ' ' A' ' 47' ' ' ILE . 11.6 tt -61.42 -23.45 30.55 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.098 0 CA-C-O 120.99 0.424 . . . . 0.0 110.623 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.3 mtm-85 -75.7 -54.64 6.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.055 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.1 -30.39 70.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.666 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.506 ' HD2' HD13 ' A' ' 27' ' ' LEU . 15.2 t80 -72.67 -57.57 4.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.376 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -59.67 -33.21 71.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.404 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 8.8 mt-10 -66.53 -58.62 4.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.6 -24.32 66.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.074 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.517 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -87.02 -61.52 1.71 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -178.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.767 HD13 ' HA ' ' A' ' 63' ' ' GLU . 34.9 mm -54.59 -40.98 52.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.27 -179.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 7.8 mmtt -52.75 -47.19 67.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.972 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -173.26 84.1 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.778 0.323 . . . . 0.0 111.643 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.517 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 8.1 t -171.9 -98.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.641 179.538 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -129.98 66.33 1.48 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.861 0.362 . . . . 0.0 111.049 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.767 ' HA ' HD13 ' A' ' 58' ' ' ILE . 5.9 pt-20 -51.71 -35.33 42.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.675 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.587 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 22.0 tt0 -65.72 -19.62 65.97 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.92 0.391 . . . . 0.0 111.185 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -74.78 -21.25 59.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.049 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.566 ' CD2' HD13 ' A' ' 97' ' ' ILE . 8.1 t80 -86.41 -48.65 8.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.189 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.587 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.7 OUTLIER -63.36 -18.31 63.53 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 178.554 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -77.06 -57.53 3.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.676 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -62.65 -33.74 75.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.162 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.844 HD13 HD13 ' A' ' 96' ' ' LEU . 12.9 mt -65.26 -51.59 59.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.608 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -53.26 -45.48 68.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.578 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.63 -43.49 80.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.611 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 tp -50.66 -42.06 56.19 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.462 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.417 ' HA ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -65.06 -49.44 70.07 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.255 179.14 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.74 -27.97 69.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.234 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.694 ' HA ' HD12 ' A' ' 79' ' ' ILE . 35.6 mttt -81.59 -54.15 5.65 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.117 0.484 . . . . 0.0 110.522 -179.271 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.417 HG12 ' HA ' ' A' ' 74' ' ' GLN . 12.9 p -53.61 -29.71 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.44 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.41 ' C ' ' H ' ' A' ' 80' ' ' LYS . 7.1 mt-10 -62.51 -49.13 76.57 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.694 HD12 ' HA ' ' A' ' 76' ' ' LYS . 4.5 mt -57.39 -7.74 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.64 178.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.41 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 79.75 114.48 0.06 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.22 179.411 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 179.15 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.477 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.413 ' C ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -133.37 41.71 3.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.79 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -59.48 -17.07 28.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.844 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.27 -38.09 19.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.057 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -62.72 -27.49 69.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.166 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.488 ' HA ' HG12 ' A' ' 89' ' ' VAL . 48.1 t-105 -80.66 -49.84 10.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.752 0.311 . . . . 0.0 110.802 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -62.02 -22.03 65.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.003 0.43 . . . . 0.0 110.259 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 61.1 mt -86.42 -58.89 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.837 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' ' 86' ' ' TRP . 5.4 p -48.21 -33.18 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.559 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.484 HG13 ' N ' ' A' ' 91' ' ' GLN . 9.9 p -78.78 -47.11 23.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.859 0.361 . . . . 0.0 110.327 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.484 ' N ' HG13 ' A' ' 90' ' ' VAL . 1.3 mt-30 -54.69 -38.55 67.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.705 178.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.06 -0.21 5.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.05 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.7 8.02 87.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.975 -0.631 . . . . 0.0 113.208 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.476 HD12 HG23 ' A' ' 89' ' ' VAL . 44.9 mt -67.75 130.53 33.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 117.168 0.484 . . . . 0.0 110.73 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.1 p -94.86 -166.03 1.4 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.355 -179.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.844 HD13 HD13 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -109.07 8.58 26.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.96 -179.189 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.566 HD13 ' CD2' ' A' ' 66' ' ' PHE . 0.7 OUTLIER 82.07 128.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.471 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.563 ' H ' ' HG3' ' A' ' 101' ' ' GLU . 0.2 OUTLIER -110.05 147.47 33.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.561 -179.419 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.495 ' HG3' ' H ' ' A' ' 100' ' ' GLU . 5.9 ptpt -36.97 -67.54 0.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 179.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.495 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 3.5 tt0 -57.22 -14.58 4.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -177.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.563 ' HG3' ' H ' ' A' ' 98' ' ' THR . 3.2 mt-10 -60.74 -3.45 0.73 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.987 0.422 . . . . 0.0 110.696 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -118.44 -159.79 0.77 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.44 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.8 t -78.64 -0.46 30.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.725 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.93 67.41 0.16 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.08 -0.581 . . . . 0.0 111.844 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.4 m -126.94 125.22 41.17 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 121.132 0.491 . . . . 0.0 111.715 -179.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.6 m -56.83 138.01 54.04 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.052 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.425 ' N ' ' HB3' ' A' ' 99' ' ' LYS . 23.0 t -141.38 118.5 7.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.866 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.515 HG23 ' H ' ' A' ' 111' ' ' GLU . 1.1 t -47.86 150.51 1.08 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.832 -178.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.12 -11.69 59.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.149 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -79.94 -16.65 54.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.965 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.515 ' H ' HG23 ' A' ' 108' ' ' THR . 6.2 tt0 -80.98 -51.26 8.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.146 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.544 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -86.84 -40.6 14.76 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -178.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -80.61 -48.51 12.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -33.25 75.43 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.151 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.442 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . 16.7 m-85 -75.3 -47.97 25.37 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' ' 112' ' ' ALA . 0.5 OUTLIER -74.86 -35.35 62.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.642 -0.253 . . . . 0.0 111.601 -178.861 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -96.31 144.56 28.05 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.264 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.13 -160.84 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.547 2.165 . . . . 0.0 112.369 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -125.64 -64.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.946 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.931 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -56.29 -25.02 54.21 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.669 2.246 . . . . 0.0 112.218 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.7 p -98.41 144.47 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.199 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.408 ' HB3' ' HB2' ' A' ' 7' ' ' GLU . 2.9 t-20 -120.88 139.22 28.78 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.637 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.439 ' O ' ' HB3' ' A' ' 9' ' ' PHE . 32.1 Cg_exo -58.85 -33.68 98.67 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.471 2.114 . . . . 0.0 112.436 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.63 -18.67 37.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.94 0.4 . . . . 0.0 111.26 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 7.9 mt-10 -85.13 -37.15 20.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.096 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.434 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -85.2 -29.3 24.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.494 -179.66 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.551 ' O ' HG22 ' A' ' 13' ' ' VAL . 10.1 t80 -76.02 -46.71 27.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.232 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -63.37 -40.38 97.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.676 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.1 p -68.18 -37.32 77.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.33 0.492 . . . . 0.0 112.33 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 9' ' ' PHE . 0.7 OUTLIER -76.76 -26.19 54.25 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.136 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 9' ' ' PHE . 33.0 m -95.01 -9.73 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.662 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -100.47 -24.19 14.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.311 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.502 ' HG3' ' HG2' ' A' ' 16' ' ' LYS . 3.4 pt20 -54.98 -32.91 62.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.924 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.601 ' HG3' ' H ' ' A' ' 17' ' ' LYS . 9.3 pttp -169.54 -58.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.99 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.601 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER 176.6 -23.48 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.177 -179.649 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 37.26 -97.58 0.02 OUTLIER 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.738 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.6 p -172.12 109.52 0.24 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.81 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -74.96 51.95 0.53 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.29 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -136.26 -58.46 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.53 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.35 -40.57 67.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.461 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.46 ' HB2' HD11 ' A' ' 12' ' ' LEU . . . -66.48 -33.64 76.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.883 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.2 m -76.13 -56.61 4.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.416 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -50.9 -44.64 60.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.748 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -63.36 -43.22 98.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.384 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.446 HD13 ' CD2' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -56.85 -47.7 79.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.486 179.497 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.53 -34.3 66.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.709 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -64.97 -44.22 90.07 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.754 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -60.11 -45.21 93.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.712 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' A' ' 49' ' ' CYS . 94.0 mt -56.69 -50.1 75.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.016 179.032 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 35' ' ' LEU . 32.7 mt-10 -54.62 -44.04 72.77 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.579 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -59.24 -45.65 90.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.124 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -55.5 -31.98 62.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.789 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 32' ' ' GLU . 11.5 mt -73.74 -18.4 60.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -66.66 -8.49 27.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.607 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.05 114.18 16.75 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.392 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -76.97 60.6 1.83 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.437 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.505 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 6.1 mm-40 -118.7 141.0 49.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.65 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.53 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 3.1 m -57.89 -49.53 93.16 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.95 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.53 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 32.6 Cg_exo -59.56 -19.37 52.05 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 122.273 1.982 . . . . 0.0 112.495 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -86.17 -38.4 17.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.214 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -67.97 -24.3 65.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.781 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 60.4 mtt -69.73 -30.32 67.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.428 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -76.16 -29.74 57.86 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.662 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.2 m -68.21 -51.64 43.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.259 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.475 HD11 HG21 ' A' ' 88' ' ' ILE . 5.4 mt -58.5 -40.99 80.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.14 178.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -24.27 67.63 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.036 179.175 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.426 ' HB3' HD11 ' A' ' 31' ' ' ILE . 3.1 m -80.01 -38.71 31.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.045 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -72.95 -25.24 21.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.569 179.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.27 -30.67 48.66 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.637 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.89 -35.85 31.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.087 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.446 ' CD2' HD13 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -73.69 -48.6 30.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.616 179.519 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -53.28 -41.9 66.04 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.311 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 6.8 tt0 -67.17 -49.42 64.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.42 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.87 -30.56 71.19 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.54 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -86.09 -57.35 3.06 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.467 HD11 HD11 ' A' ' 97' ' ' ILE . 62.3 mt -55.19 -43.45 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.269 -179.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 2.2 mmtp -50.43 -50.52 51.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.969 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -175.14 84.73 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 120.797 0.332 . . . . 0.0 111.708 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.54 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 4.0 t -169.71 -97.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.603 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.713 ' HB3' ' HB3' ' A' ' 65' ' ' ARG . 2.5 mm-40 -133.92 64.29 1.61 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.017 0.437 . . . . 0.0 111.05 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.466 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -54.13 -34.39 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.305 179.633 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.592 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 58.4 mt-30 -71.88 -23.13 61.45 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.55 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.713 ' HB3' ' HB3' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -73.17 -17.59 61.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.171 0.51 . . . . 0.0 109.846 179.625 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.514 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -87.93 -45.21 10.44 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.171 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.592 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.7 OUTLIER -70.9 -20.93 62.44 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.085 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -69.48 -58.27 4.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.05 178.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -68.83 -26.18 65.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.95 178.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.863 HD13 HD13 ' A' ' 96' ' ' LEU . 2.6 mt -66.35 -47.57 73.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.432 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.4 ' HA ' ' HZ ' ' A' ' 115' ' ' PHE . 88.4 mttt -58.56 -40.7 83.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.82 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.46 -45.53 45.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.034 0.445 . . . . 0.0 111.261 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.765 ' O ' HG13 ' A' ' 77' ' ' VAL . 13.0 tp -57.7 -51.74 68.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -51.24 -51.07 57.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.343 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.482 ' O ' HD12 ' A' ' 79' ' ' ILE . 31.3 mt-10 -64.01 -44.51 92.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -58.68 -54.64 44.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.272 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.765 HG13 ' O ' ' A' ' 73' ' ' LEU . 1.1 m -67.48 -27.73 39.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.765 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.14 -51.07 70.8 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.849 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.482 HD12 ' O ' ' A' ' 75' ' ' GLU . 3.7 mt -64.1 -82.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.806 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -153.41 108.84 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -177.16 -80.63 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.246 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.4 71.55 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.945 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -70.95 -25.14 62.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.574 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.93 -39.72 95.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.712 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.445 ' O ' HG23 ' A' ' 89' ' ' VAL . 28.6 t80 -63.56 -24.61 67.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.556 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.426 ' O ' HG12 ' A' ' 90' ' ' VAL . 48.9 t-105 -79.01 -50.79 10.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.674 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -63.32 -18.59 63.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.211 0.529 . . . . 0.0 109.967 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.475 HG21 HD11 ' A' ' 47' ' ' ILE . 53.3 mt -85.76 -61.94 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.106 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 85' ' ' PHE . 53.4 t -50.4 -28.99 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.515 179.583 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.523 HG13 ' N ' ' A' ' 91' ' ' GLN . 13.2 p -81.78 -49.9 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.649 0.261 . . . . 0.0 110.623 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.523 ' N ' HG13 ' A' ' 90' ' ' VAL . 2.7 mm-40 -53.36 -31.55 45.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.57 9.75 1.0 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.379 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.63 -7.34 26.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.868 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.414 ' H ' HG13 ' A' ' 94' ' ' ILE . 9.3 mt -67.41 138.93 21.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.764 0.316 . . . . 0.0 110.722 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.44 ' HA ' HD11 ' A' ' 116' ' ' LEU . 1.5 t -130.91 164.87 24.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.996 0.427 . . . . 0.0 111.513 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.863 HD13 HD13 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -57.14 176.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.398 -179.777 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.467 HD11 HD11 ' A' ' 58' ' ' ILE . 1.2 mp -71.5 120.76 20.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.703 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.81 146.84 28.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.552 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.439 ' HG3' ' H ' ' A' ' 100' ' ' GLU . 5.0 ptpt -40.66 -79.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.349 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.527 ' C ' ' H ' ' A' ' 102' ' ' ALA . 12.5 tt0 -56.68 -21.51 28.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.156 -178.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.51 3.81 0.07 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.729 0.3 . . . . 0.0 111.351 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.527 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -144.64 -49.24 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.395 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 t -178.56 -175.09 0.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.162 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -72.19 56.6 1.5 Allowed Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.32 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.6 m -115.75 128.46 55.88 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 120.805 0.336 . . . . 0.0 110.758 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.8 m -59.33 129.94 44.48 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.425 0.631 . . . . 0.0 111.241 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.3 t -134.03 125.42 48.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.608 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -47.86 148.29 1.68 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.884 -178.187 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.24 -12.76 56.46 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.123 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.461 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 24.9 mt-10 -84.36 -17.06 40.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.408 -178.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.746 ' HG3' HD12 ' A' ' 96' ' ' LEU . 6.3 tt0 -82.96 -46.7 12.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.16 -179.045 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.438 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.71 -42.27 12.76 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -178.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.64 -46.9 11.83 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -177.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 6.4 tmtm? -64.0 -39.8 94.92 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.245 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.4 ' HZ ' ' HA ' ' A' ' 71' ' ' LYS . 8.0 m-85 -64.25 -47.15 80.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.682 0.277 . . . . 0.0 111.593 -179.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.44 HD11 ' HA ' ' A' ' 95' ' ' THR . 3.8 mp -95.4 35.28 1.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.253 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.42 150.92 85.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.019 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.94 153.68 74.73 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.46 2.107 . . . . 0.0 112.359 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -116.02 -67.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 CA-C-O 120.147 -0.252 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.12 -24.79 68.2 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.621 2.214 . . . . 0.0 112.204 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 t -106.84 -46.24 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.211 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 61.49 101.15 0.04 OUTLIER Pre-proline 0 C--N 1.332 -0.185 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.782 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -49.85 -31.97 28.26 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.636 2.224 . . . . 0.0 112.714 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.36 -38.89 85.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.208 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.458 ' O ' HG22 ' A' ' 11' ' ' VAL . 50.1 mt-10 -77.39 -42.49 36.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -62.53 -33.26 74.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.528 ' HD1' ' HB1' ' A' ' 23' ' ' ALA . 1.0 OUTLIER -77.31 -44.16 30.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.591 179.862 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.43 HH21 ' HA ' ' A' ' 52' ' ' ALA . 45.6 mtt180 -61.33 -35.18 76.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.441 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 7' ' ' GLU . 30.4 m -80.0 -40.22 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.628 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.33 -27.37 69.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 111.041 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 9' ' ' PHE . 25.7 m -95.62 -4.46 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.3 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -119.94 44.88 2.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.421 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 10.9 mm100 -116.13 -47.9 2.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.83 0.348 . . . . 0.0 110.783 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.495 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER 176.82 -36.38 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.113 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.495 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 89.2 mttt -156.6 151.93 26.58 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.71 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 179.13 -28.39 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.824 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 t 63.68 130.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.036 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -79.9 58.72 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.61 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -132.94 -64.73 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.068 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.53 -42.3 78.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.528 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -67.44 -31.34 71.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.49 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -76.52 -58.14 3.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.687 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -51.97 -45.29 64.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.924 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -61.49 -43.73 98.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.577 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.419 HD12 ' HD2' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -57.76 -46.45 84.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.678 179.515 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 24' ' ' SER . 1.8 mt -62.41 -41.98 93.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.835 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -60.72 -44.73 96.26 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.332 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -57.67 -46.91 83.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.083 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.4 mt -58.46 -48.59 84.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.333 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -53.65 -45.32 70.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.675 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -59.37 -45.37 91.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.206 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -56.61 -28.81 61.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.621 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -81.99 -18.67 42.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.687 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -75.53 -0.2 19.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.006 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.31 126.32 29.47 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.018 0.437 . . . . 0.0 110.781 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -79.69 117.21 20.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.629 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -165.19 158.89 16.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.536 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.524 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 7.7 m -81.18 -49.44 1.01 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.663 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.524 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 5.8 Cg_exo -74.36 -6.44 18.37 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.501 2.134 . . . . 0.0 112.389 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -83.14 -42.57 17.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.148 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -70.4 -33.78 71.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 47.8 mtt -59.87 -33.64 72.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.062 0.458 . . . . 0.0 110.067 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -78.41 -25.98 46.25 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.531 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -66.17 -50.86 62.46 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.748 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.425 HD11 HG21 ' A' ' 88' ' ' ILE . 7.6 mt -59.66 -41.0 83.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.914 178.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.42 -24.37 66.48 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.947 179.166 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -84.55 -47.14 10.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.138 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.6 tt -62.35 -23.92 33.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.394 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -54.75 6.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.199 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.43 ' HA ' HH21 ' A' ' 10' ' ' ARG . . . -58.53 -33.03 69.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.917 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.419 ' HD2' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -78.03 -56.6 4.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.361 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.652 HH21 HD12 ' A' ' 97' ' ' ILE . 8.2 mtp-105 -52.01 -35.2 46.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.159 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -70.98 -56.93 5.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.487 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -62.65 -24.2 67.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.951 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.559 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -87.23 -59.55 2.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.848 0.356 . . . . 0.0 111.569 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.53 HG23 ' HB2' ' A' ' 102' ' ' ALA . 72.0 mt -55.72 -43.8 74.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.306 -179.43 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.44 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 2.2 mmtm -51.28 -46.73 62.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.998 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.44 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 22.4 p90 -177.45 91.42 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.002 0.429 . . . . 0.0 111.299 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.559 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 7.0 t -176.92 -98.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.383 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -132.11 64.89 1.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.017 0.437 . . . . 0.0 110.753 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -52.12 -32.63 36.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.584 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -78.98 -23.75 44.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.857 0.361 . . . . 0.0 111.212 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -64.99 -24.57 67.55 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.452 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -89.84 -42.21 11.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.272 179.726 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -68.0 -18.38 64.7 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.589 0.709 . . . . 0.0 109.122 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -76.71 -57.79 3.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.013 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -63.26 -27.03 69.06 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.298 178.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.915 HD13 HD13 ' A' ' 96' ' ' LEU . 2.2 mt -68.97 -48.91 61.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.812 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.408 ' HA ' ' HZ ' ' A' ' 115' ' ' PHE . 52.7 mttt -52.6 -42.56 64.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.05 179.051 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.66 -42.43 61.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.622 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.549 ' O ' HG12 ' A' ' 77' ' ' VAL . 29.1 tp -51.71 -41.49 61.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.34 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.426 ' HA ' HG12 ' A' ' 77' ' ' VAL . 3.0 tm0? -62.03 -49.72 74.88 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.339 0.59 . . . . 0.0 110.176 178.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.43 -26.22 68.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.939 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.747 ' HA ' HD12 ' A' ' 79' ' ' ILE . 74.6 tttt -81.5 -53.44 6.28 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.463 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 73' ' ' LEU . 7.2 p -58.72 -27.14 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.257 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.504 ' C ' ' H ' ' A' ' 80' ' ' LYS . 4.8 mt-10 -61.37 -50.03 74.54 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.747 HD12 ' HA ' ' A' ' 76' ' ' LYS . 3.1 mt -56.28 -2.71 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.342 178.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.504 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.4 OUTLIER 78.94 118.3 0.06 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.424 0.631 . . . . 0.0 111.349 179.45 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.419 ' HB3' HD23 ' A' ' 82' ' ' LEU . 3.8 mt-30 177.59 -37.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.479 ' HG ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -141.81 45.06 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.767 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -61.48 -29.24 69.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -70.89 -35.58 72.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.437 ' O ' HG23 ' A' ' 89' ' ' VAL . 38.6 t80 -64.4 -26.13 68.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.874 0.368 . . . . 0.0 110.422 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.423 ' O ' HG12 ' A' ' 90' ' ' VAL . 32.4 t-105 -77.92 -51.72 9.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.489 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -62.23 -18.87 62.35 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.23 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.425 HG21 HD11 ' A' ' 47' ' ' ILE . 40.3 mt -85.45 -60.68 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.06 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 85' ' ' PHE . 50.0 t -50.24 -32.54 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.294 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 91' ' ' GLN . 13.9 p -78.41 -49.23 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.712 0.291 . . . . 0.0 110.49 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.503 ' N ' HG13 ' A' ' 90' ' ' VAL . 40.4 tt0 -52.27 -33.54 42.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.006 178.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.23 4.88 3.21 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.03 6.38 79.02 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.127 -0.559 . . . . 0.0 113.083 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.9 mt -75.79 137.1 23.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.756 0.312 . . . . 0.0 110.874 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.574 ' HA ' HD11 ' A' ' 116' ' ' LEU . 15.2 p -125.42 160.08 30.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.21 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.915 HD13 HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -52.58 176.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.546 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.652 HD12 HH21 ' A' ' 54' ' ' ARG . 1.3 mp -68.82 116.03 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.641 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.32 144.66 31.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.332 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.55 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 0.9 OUTLIER -53.68 -47.43 70.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.616 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -52.69 -33.13 46.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.901 0.381 . . . . 0.0 110.71 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -78.86 -29.9 44.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.491 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.53 ' HB2' HG23 ' A' ' 58' ' ' ILE . . . -155.77 142.59 18.91 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 102' ' ' ALA . 1.1 t 90.01 -69.68 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.106 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 124.67 84.94 0.61 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.78 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.456 ' N ' ' HB2' ' A' ' 99' ' ' LYS . 1.1 p 65.03 12.9 8.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.657 0.265 . . . . 0.0 111.26 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.668 ' O ' HG23 ' A' ' 107' ' ' VAL . 75.6 m -110.86 94.99 5.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.283 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 106' ' ' SER . 1.0 OUTLIER -177.91 146.22 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.883 179.66 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.52 150.28 36.61 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.05 -179.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.24 -12.79 59.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.306 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -84.39 -16.65 42.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.353 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.673 ' HG3' HD12 ' A' ' 96' ' ' LEU . 4.7 tt0 -82.79 -47.16 12.22 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.141 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.568 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.44 -42.86 12.5 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -178.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -80.48 -47.77 13.8 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -63.46 -34.18 77.19 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.408 ' HZ ' ' HA ' ' A' ' 71' ' ' LYS . 7.4 m-85 -69.28 -47.34 64.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.614 0.245 . . . . 0.0 111.543 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.574 HD11 ' HA ' ' A' ' 95' ' ' THR . 1.0 OUTLIER -85.4 10.79 11.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.739 0.304 . . . . 0.0 111.139 -179.784 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.91 155.26 61.3 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.956 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.02 -16.72 50.17 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.502 2.135 . . . . 0.0 112.251 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.1 tttm 56.44 -165.82 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.995 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 19.8 t70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.953 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -56.02 -41.53 76.01 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.692 2.262 . . . . 0.0 112.262 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.1 t -104.54 -44.96 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 63.42 107.97 0.03 OUTLIER Pre-proline 0 CA--C 1.53 0.187 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -51.13 -35.26 51.01 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.538 2.159 . . . . 0.0 112.449 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.91 -36.36 83.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.078 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.426 ' O ' HG12 ' A' ' 11' ' ' VAL . 2.3 mm-40 -74.66 -45.87 41.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.002 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -61.39 -32.35 72.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.548 ' HD1' ' HB1' ' A' ' 23' ' ' ALA . 6.5 t80 -76.6 -48.45 19.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.66 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -57.24 -36.66 71.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.3 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 7' ' ' GLU . 12.8 p -80.14 -40.59 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.285 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.406 HD23 ' HB2' ' A' ' 23' ' ' ALA . 1.3 tp -58.57 -31.8 68.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 9' ' ' PHE . 33.4 m -94.48 -5.43 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.377 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -118.55 36.91 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.226 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.419 ' HG3' ' HG2' ' A' ' 16' ' ' LYS . 14.0 pt20 -116.2 -38.1 3.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.959 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.702 ' HG3' ' H ' ' A' ' 17' ' ' LYS . 27.1 pttt -162.92 -72.3 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.702 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 6.2 tptp -174.94 75.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.781 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.98 1.31 36.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.233 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.2 m 62.2 134.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.475 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -78.0 63.04 2.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.762 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -141.53 -62.47 0.46 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.964 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -65.0 -46.05 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.548 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -70.79 -27.04 63.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.995 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.492 ' O ' HD12 ' A' ' 28' ' ' ILE . 44.2 m -75.48 -59.52 2.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.554 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -54.29 -40.77 68.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.855 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -62.8 -45.97 90.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.635 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -57.16 -44.28 83.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.666 179.645 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 24' ' ' SER . 1.5 mp -65.14 -42.34 94.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.757 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -43.59 98.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.427 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -48.42 81.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.195 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 28' ' ' ILE . 62.4 mt -54.05 -45.62 65.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.245 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.28 -27.9 63.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.378 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -67.16 -28.44 68.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.389 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -82.53 -26.5 32.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.083 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.476 HD21 HD13 ' A' ' 82' ' ' LEU . 1.0 OUTLIER -71.0 -18.38 62.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.488 179.526 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -73.77 -2.45 23.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.72 127.93 28.05 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.635 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -79.38 121.13 24.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.61 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -166.09 148.34 7.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.534 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.519 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 3.5 m -76.18 -49.44 3.18 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.616 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.519 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 12.1 Cg_exo -70.85 -5.68 17.43 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.397 2.064 . . . . 0.0 112.279 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -85.84 -41.01 15.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.135 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -62.21 -28.61 69.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.809 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 57.0 mtt -67.62 -32.6 73.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.298 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -73.75 -29.37 62.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.554 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.73 -52.25 27.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.124 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.45 ' O ' HG22 ' A' ' 50' ' ' ILE . 11.6 mt -58.87 -42.92 87.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.302 179.003 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -61.0 -25.06 66.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.048 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -82.93 -47.57 11.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.36 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.45 HG22 ' O ' ' A' ' 47' ' ' ILE . 3.7 tt -61.07 -26.1 38.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.445 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 mmt85 -75.75 -55.03 6.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.206 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.82 -35.65 66.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.916 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.2 -51.71 11.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.928 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.477 ' O ' HG23 ' A' ' 58' ' ' ILE . 4.9 mtp-105 -45.93 -43.97 14.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.069 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -70.55 -45.57 65.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.702 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -63.4 -27.54 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.747 0.308 . . . . 0.0 111.36 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.567 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.03 -55.79 3.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.1 -179.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.533 ' HB ' ' HB2' ' A' ' 102' ' ' ALA . 1.7 pp -55.27 -41.86 63.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.477 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.431 ' H ' HG13 ' A' ' 58' ' ' ILE . 30.4 mttp -50.66 -56.57 11.28 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.863 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -177.45 82.61 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.822 0.344 . . . . 0.0 111.489 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.567 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.6 OUTLIER -162.53 -96.0 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.31 179.675 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -134.04 58.34 1.77 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.931 0.396 . . . . 0.0 110.859 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.508 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 5.7 pt-20 -52.84 -42.45 65.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.843 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.518 ' C ' ' OD1' ' A' ' 67' ' ' ASN . 35.0 mt-30 -69.22 -13.84 62.63 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.4 ttt85 -81.94 -58.96 2.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.848 0.356 . . . . 0.0 110.338 178.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -47.96 -46.78 32.7 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.134 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.518 ' OD1' ' C ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -64.72 -53.35 48.65 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.385 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -41.93 -50.93 4.49 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.259 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -71.71 -31.86 67.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.431 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.814 HD13 HD13 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -60.25 -37.6 80.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.463 179.397 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -68.11 -36.09 79.2 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.142 0.496 . . . . 0.0 109.986 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.15 -41.67 66.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.778 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.729 ' O ' HG13 ' A' ' 77' ' ' VAL . 9.3 tp -63.62 -49.43 73.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.72 179.36 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.5 -51.76 65.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.22 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -62.28 -46.97 86.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.174 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -56.64 -57.98 10.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.332 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 73' ' ' LEU . 1.5 m -64.66 -27.36 42.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.819 0.343 . . . . 0.0 110.731 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.5 -51.53 69.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.363 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.6 mt -58.22 -86.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.004 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -149.82 99.11 2.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.021 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.26 -82.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.608 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.476 HD13 HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -137.69 73.53 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.814 179.688 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -72.49 -15.06 61.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.532 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.13 -43.74 66.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.514 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.553 ' O ' HG13 ' A' ' 89' ' ' VAL . 34.4 t80 -55.05 -36.04 65.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.58 ' HA ' HG22 ' A' ' 89' ' ' VAL . 68.1 t-105 -77.85 -43.3 30.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -63.56 -23.06 67.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.293 0.568 . . . . 0.0 109.832 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 55.8 mt -85.61 -62.43 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.31 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.58 HG22 ' HA ' ' A' ' 86' ' ' TRP . 33.5 m -51.14 -28.85 7.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.777 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.498 ' HB ' ' O ' ' A' ' 86' ' ' TRP . 0.5 OUTLIER -70.11 -51.65 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.709 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.473 ' N ' HG12 ' A' ' 90' ' ' VAL . 4.7 mm100 -59.0 -40.16 84.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.309 178.222 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.58 -5.88 6.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.617 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.03 31.56 28.48 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.706 -0.759 . . . . 0.0 113.411 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 28.2 mm -83.31 118.73 31.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.865 0.364 . . . . 0.0 110.331 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.458 ' HA ' HD11 ' A' ' 116' ' ' LEU . 13.9 t -101.64 -167.05 1.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.439 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.814 HD13 HD13 ' A' ' 70' ' ' LEU . 0.7 OUTLIER -110.98 170.11 8.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.313 -179.199 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.511 ' O ' HG22 ' A' ' 97' ' ' ILE . 1.6 mp -64.0 103.4 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.382 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.587 ' HA ' HG11 ' A' ' 107' ' ' VAL . 1.4 m -101.09 144.83 29.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.468 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.58 ' HB2' ' N ' ' A' ' 105' ' ' SER . 0.0 OUTLIER -43.32 -65.6 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.844 179.636 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.435 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 0.1 OUTLIER -51.56 -27.21 10.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.638 -179.458 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -78.59 -34.47 46.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.642 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.533 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . . . -125.34 -75.57 0.59 Allowed 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 33.5 t -109.35 91.58 3.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.861 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 106' ' ' SER . . . -33.88 132.52 0.38 Allowed Glycine 0 CA--C 1.52 0.358 0 CA-C-N 115.855 -0.611 . . . . 0.0 114.503 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.58 ' N ' ' HB2' ' A' ' 99' ' ' LYS . 16.2 m 62.09 -17.53 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.725 ' O ' HG23 ' A' ' 107' ' ' VAL . 0.4 OUTLIER -98.03 88.97 4.38 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.876 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 106' ' ' SER . 1.3 t 178.31 136.27 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.445 178.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.475 HG23 ' H ' ' A' ' 111' ' ' GLU . 12.0 t -74.78 150.6 39.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.173 0.511 . . . . 0.0 112.127 -179.011 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -77.05 -12.26 59.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.755 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.537 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 4.4 tt0 -83.95 -17.4 40.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.526 -179.004 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.475 ' H ' HG23 ' A' ' 108' ' ' THR . 5.5 tt0 -85.38 -48.6 8.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.308 -179.178 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.597 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.33 -38.77 15.94 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -178.222 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -87.19 -46.85 9.37 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.537 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 4.2 tmtt? -64.99 -27.7 69.01 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.234 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -73.11 -47.4 44.6 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.458 HD11 ' HA ' ' A' ' 95' ' ' THR . 1.0 OUTLIER -79.93 -20.65 45.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.748 0.309 . . . . 0.0 111.386 -179.426 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.83 149.94 44.69 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.096 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -73.68 -171.25 0.81 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.508 2.138 . . . . 0.0 112.342 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -112.18 -56.05 2.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.944 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 CA-C-O 120.14 -0.255 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -55.98 160.28 10.52 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.631 2.221 . . . . 0.0 112.301 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.4 t -122.04 139.25 49.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.067 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -115.44 124.66 29.75 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.493 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 48.8 Cg_exo -56.02 -27.78 66.01 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.455 2.104 . . . . 0.0 112.368 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.34 -33.74 71.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.164 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.492 ' O ' HG23 ' A' ' 11' ' ' VAL . 39.4 mt-10 -73.19 -53.56 10.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.247 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.493 ' OD1' ' HA ' ' A' ' 5' ' ' PRO . 0.6 OUTLIER -61.6 -26.09 67.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.846 -179.735 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.532 ' O ' HG22 ' A' ' 13' ' ' VAL . 42.8 t80 -73.86 -51.88 14.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.366 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -57.36 -36.87 71.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.64 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 7' ' ' GLU . 77.5 t -72.71 -46.36 54.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.686 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.3 tp -54.56 -31.72 57.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.418 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.571 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 16.1 m -94.18 -1.03 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 0.0 111.228 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -123.97 40.32 3.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.4 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -115.77 -47.16 2.81 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.006 0.431 . . . . 0.0 111.124 179.62 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.18 -75.7 0.2 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.477 -178.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -163.13 90.16 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.174 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.571 ' HB3' ' HA ' ' A' ' 13' ' ' VAL . . . -103.6 -9.67 19.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 m 55.49 -92.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.455 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 175.69 50.74 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.72 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -127.66 -70.91 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.19 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -60.24 -46.48 89.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.27 -26.25 63.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.311 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.4 -58.94 2.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.823 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.435 ' O ' HG22 ' A' ' 28' ' ' ILE . 25.4 m-80 -54.77 -41.79 70.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.722 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -60.04 -48.08 83.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.449 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -57.04 -47.6 80.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.629 179.501 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.446 ' HA ' HD12 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -62.59 -33.55 60.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.652 179.82 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.59 -44.97 85.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.915 179.317 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.85 -43.76 97.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.628 179.178 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' A' ' 28' ' ' ILE . 91.1 mt -56.76 -50.14 75.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.999 179.009 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.579 ' HA ' HD12 ' A' ' 35' ' ' LEU . 33.6 mt-10 -53.98 -44.0 70.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.451 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -59.32 -45.64 90.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.958 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -54.19 -31.9 54.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.335 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 32' ' ' GLU . 3.1 mt -79.24 -26.09 42.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.698 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.62 -46.29 84.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.439 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -57.47 -71.38 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.898 179.494 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 37' ' ' THR . 33.9 m120 92.44 61.08 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 O-C-N 123.909 0.756 . . . . 0.0 110.878 179.358 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.525 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 1.6 mm-40 -127.15 179.85 5.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.552 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.567 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 85.9 m -81.18 -48.77 1.05 Allowed Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.567 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 9.0 Cg_exo -72.18 -10.37 25.74 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.388 2.059 . . . . 0.0 112.327 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -86.79 -37.13 18.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.233 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -68.05 -25.06 65.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.934 0.397 . . . . 0.0 110.658 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 64.0 mtt -68.47 -31.51 70.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.142 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.16 -27.57 53.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.536 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 m -65.38 -52.84 50.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.988 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.444 HD11 HG21 ' A' ' 88' ' ' ILE . 11.2 mt -60.6 -39.18 80.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.312 178.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -26.57 68.06 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.031 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 m -83.89 -47.02 11.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.41 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.8 tt -63.87 -21.49 28.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 121.002 0.43 . . . . 0.0 110.597 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -76.5 -53.61 7.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.876 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.0 -32.1 73.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.932 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.62 -56.44 4.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.987 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.478 ' O ' HG23 ' A' ' 58' ' ' ILE . 38.2 mtt180 -48.85 -43.25 38.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.268 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -66.81 -46.96 73.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.687 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.88 -27.37 68.81 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 111.156 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.587 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -83.41 -57.3 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.531 HG13 ' N ' ' A' ' 59' ' ' LYS . 1.0 OUTLIER -56.07 -38.87 55.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.464 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.531 ' N ' HG13 ' A' ' 58' ' ' ILE . 32.6 mttt -50.5 -56.22 12.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.551 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -178.75 70.29 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.674 0.273 . . . . 0.0 111.42 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.587 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.6 OUTLIER -150.86 -101.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.721 179.819 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -131.26 64.36 1.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.936 0.398 . . . . 0.0 111.399 -179.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -55.03 -35.58 64.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.167 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.604 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 48.5 mt-30 -70.12 -24.87 63.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.98 0.419 . . . . 0.0 111.044 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -71.36 -19.28 62.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.241 0.543 . . . . 0.0 109.558 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.471 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -87.78 -45.61 10.18 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.38 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.623 ' HA ' HD21 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -68.68 -18.7 64.31 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.163 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -75.41 -58.15 3.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.262 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -63.55 -29.51 70.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.879 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.891 HD13 ' HG ' ' A' ' 96' ' ' LEU . 3.4 mt -70.69 -46.95 62.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.449 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -53.35 -40.98 65.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.503 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.73 -43.09 48.65 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.701 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.525 ' O ' HG12 ' A' ' 77' ' ' VAL . 12.3 tp -55.99 -39.08 71.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.355 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.517 ' HA ' HG12 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -63.01 -52.14 64.11 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.421 179.289 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.699 ' O ' HD12 ' A' ' 79' ' ' ILE . 4.8 mt-10 -57.33 -28.76 63.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.985 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -81.84 -54.81 5.05 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.631 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 73' ' ' LEU . 8.5 p -57.39 -29.71 33.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.368 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -53.97 52.35 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.123 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.699 HD12 ' O ' ' A' ' 75' ' ' GLU . 3.5 mt -68.25 -77.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.63 178.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -162.46 119.78 2.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -177.58 -80.05 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.686 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.501 ' C ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -125.44 55.43 1.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.902 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -58.15 -17.51 19.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.255 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.95 -35.0 22.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.522 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.6 t80 -71.01 -24.07 62.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.902 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.52 ' HB2' HG21 ' A' ' 77' ' ' VAL . 36.1 t-105 -72.48 -58.57 3.28 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.495 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 23.1 mt-10 -60.93 -17.84 53.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.056 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.444 HG21 HD11 ' A' ' 47' ' ' ILE . 10.9 mt -80.91 -59.97 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.833 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.616 HG13 ' HB ' ' A' ' 94' ' ' ILE . 52.9 t -47.58 -32.78 2.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.625 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.1 p -87.41 -40.13 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.024 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 0.8 OUTLIER -46.06 -29.06 1.35 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.32 178.372 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.9 -43.96 8.7 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 122.72 12.31 5.06 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.9 178.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.616 ' HB ' HG13 ' A' ' 89' ' ' VAL . 9.9 mt -67.53 150.47 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.692 0.282 . . . . 0.0 110.554 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.584 ' HA ' HD11 ' A' ' 116' ' ' LEU . 21.3 p -126.35 173.62 9.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.565 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.891 ' HG ' HD13 ' A' ' 70' ' ' LEU . 1.5 tt -54.21 -113.87 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.26 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.64 HG22 HG21 ' A' ' 107' ' ' VAL . 1.0 OUTLIER -110.14 -37.56 3.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 O-C-N 122.053 -0.404 . . . . 0.0 110.985 179.689 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.444 HG23 ' HB1' ' A' ' 112' ' ' ALA . 0.2 OUTLIER 61.56 125.56 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.045 179.321 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.649 ' HB2' ' HA ' ' A' ' 105' ' ' SER . 0.0 OUTLIER -47.79 -55.84 8.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.611 179.482 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -53.15 -31.07 40.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.199 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.466 ' HG3' HD13 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -108.27 39.98 1.86 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.997 0.427 . . . . 0.0 110.707 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.44 -102.51 0.42 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.2 p -134.78 -9.55 2.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.806 0.336 . . . . 0.0 110.986 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 160.22 61.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.438 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.649 ' HA ' ' HB2' ' A' ' 99' ' ' LYS . 0.5 OUTLIER 52.47 46.48 26.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.723 0.297 . . . . 0.0 111.232 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.824 ' O ' HG23 ' A' ' 107' ' ' VAL . 48.3 m -120.7 90.52 3.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.452 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 106' ' ' SER . 4.1 t -174.63 147.19 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.75 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.478 HG23 ' H ' ' A' ' 111' ' ' GLU . 5.7 t -81.94 150.94 27.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.928 0.394 . . . . 0.0 111.658 -179.615 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.46 -13.72 61.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.76 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.484 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 26.2 mt-10 -84.82 -17.64 37.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.47 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.825 ' HG3' HD13 ' A' ' 96' ' ' LEU . 2.5 tt0 -85.64 -44.35 12.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.29 -179.141 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.444 ' HB1' HG23 ' A' ' 98' ' ' THR . . . -87.71 -41.95 12.98 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -87.11 -45.07 11.04 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -177.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.484 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 3.5 tmtp? -66.86 -39.63 87.62 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.003 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.599 ' CG ' HD12 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -55.87 -40.6 73.17 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.391 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.602 HD21 ' O ' ' A' ' 94' ' ' ILE . 5.0 mp -98.26 19.85 13.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.652 0.263 . . . . 0.0 111.431 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -121.8 145.65 43.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.938 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -73.65 -173.19 1.27 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.451 2.1 . . . . 0.0 112.334 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -149.0 129.01 13.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.955 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.843 -179.942 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.12 154.46 66.29 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.465 2.11 . . . . 0.0 112.264 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 m -118.54 -36.13 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.469 ' HB3' ' HB2' ' A' ' 7' ' ' GLU . 3.2 t-20 65.44 122.24 0.02 OUTLIER Pre-proline 0 CA--C 1.53 0.207 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.2 -37.42 95.49 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.508 2.138 . . . . 0.0 112.476 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.93 -39.74 83.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.273 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.481 ' O ' HG22 ' A' ' 11' ' ' VAL . 6.4 tt0 -68.42 -51.28 45.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.136 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -55.71 -37.62 68.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.522 ' HD1' ' HB1' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -71.55 -45.09 63.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.575 179.777 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -59.53 -40.67 87.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.529 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.528 ' HA ' ' HB2' ' A' ' 14' ' ' LYS . 17.2 m -74.96 -44.39 44.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.501 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.479 HD23 ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -54.75 -32.95 60.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.771 0.32 . . . . 0.0 111.056 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 9' ' ' PHE . 34.1 m -95.11 -10.72 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.99 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.528 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 12.6 tttt -71.76 -30.29 65.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.257 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.465 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 1.9 pt20 -106.73 -51.33 2.95 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 120.601 -0.44 . . . . 0.0 112.138 -179.169 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.502 ' O ' ' C ' ' A' ' 17' ' ' LYS . 2.7 tppt? 157.33 -19.99 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.533 0.521 . . . . 0.0 109.894 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -18.08 -64.98 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.373 -0.831 . . . . 0.0 112.121 -179.396 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.01 162.4 33.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.515 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.7 m -87.16 171.63 10.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.748 0.308 . . . . 0.0 110.603 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -56.98 -46.3 82.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.252 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -47.99 -64.45 0.79 Allowed 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -53.46 -50.91 64.3 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.712 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.522 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -62.54 -31.33 72.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.119 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.9 m -67.49 -54.07 23.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.206 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -54.02 -44.51 71.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.258 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -60.89 -48.79 80.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.9 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.427 HD13 ' CD2' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -57.15 -48.11 79.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.065 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.0 -34.86 68.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.089 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.61 -45.91 81.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.005 0.431 . . . . 0.0 110.175 179.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -59.7 -44.5 93.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.948 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.04 -51.06 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.446 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 30.7 mt-10 -54.23 -37.84 65.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.806 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -67.07 -47.06 72.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.346 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -56.45 -28.57 59.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.713 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 32' ' ' GLU . 1.3 mt -60.96 -48.02 83.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.638 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -48.76 -21.49 0.63 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.112 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.34 101.49 12.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.311 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -77.84 54.38 1.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.362 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.441 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 9.3 mm-40 -115.15 138.29 51.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.594 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.52 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 2.5 m -57.26 -49.74 92.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.703 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.52 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 26.7 Cg_exo -62.72 -21.19 72.75 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.218 1.945 . . . . 0.0 112.297 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -83.69 -35.6 24.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -71.16 -22.21 62.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.909 0.385 . . . . 0.0 110.703 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 63.9 mtt -67.66 -30.86 70.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.059 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.24 -28.88 61.45 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.479 179.457 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.28 -51.81 48.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.892 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.7 mm -59.16 -41.8 84.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.045 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -26.73 67.48 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.152 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.9 m -82.72 -48.49 10.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.341 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.0 tt -59.96 -25.69 33.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.573 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -75.16 -54.9 6.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.179 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.95 -33.21 66.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.818 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.427 ' CD2' HD13 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -75.51 -55.7 5.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.251 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.405 ' O ' HG23 ' A' ' 58' ' ' ILE . 36.4 ttm-85 -51.69 -43.8 62.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.482 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -64.35 -56.13 16.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.67 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.81 -21.09 66.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.68 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.623 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -86.41 -59.97 2.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.784 0.326 . . . . 0.0 111.302 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.494 ' HA ' ' HB3' ' A' ' 63' ' ' GLU . 1.9 pp -56.22 -39.81 61.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.486 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -50.64 -55.14 17.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.691 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -176.08 77.18 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 120.769 0.319 . . . . 0.0 111.507 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.623 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 3.2 t -161.39 -99.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.584 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 65' ' ' ARG . 27.9 mt-10 -131.38 64.33 1.59 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.886 0.374 . . . . 0.0 111.177 -179.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.494 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 4.2 pt-20 -53.3 -36.88 61.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.262 179.207 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.838 ' HA ' HD22 ' A' ' 67' ' ' ASN . 56.6 mt-30 -65.12 -21.51 66.81 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.136 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.41 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 2.1 ttt85 -74.06 -19.65 60.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.107 0.48 . . . . 0.0 109.925 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.16 -48.32 7.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.265 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.838 HD22 ' HA ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -63.27 -18.34 63.47 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.352 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -74.02 -57.41 3.98 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 114.65 -1.159 . . . . 0.0 109.0 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -67.31 -23.67 65.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.886 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.841 HD12 HD13 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -70.31 -54.17 13.72 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.949 0.404 . . . . 0.0 110.021 179.67 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -53.13 -40.9 64.57 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.36 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.36 -43.07 70.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.599 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 tp -52.62 -39.25 61.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.425 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.501 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -67.76 -50.97 54.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.112 178.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -57.63 -31.37 66.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.325 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.759 ' HA ' HD12 ' A' ' 79' ' ' ILE . 40.9 mttt -81.64 -53.68 6.03 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.982 0.42 . . . . 0.0 110.879 -178.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 74' ' ' GLN . 7.7 p -50.94 -29.76 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.406 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.416 ' C ' ' H ' ' A' ' 80' ' ' LYS . 23.4 mt-10 -64.32 -49.41 71.86 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 178.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.759 HD12 ' HA ' ' A' ' 76' ' ' LYS . 4.3 mt -59.46 -5.04 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.864 178.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 81.79 119.98 0.05 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.497 179.106 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.686 ' HB3' HD23 ' A' ' 82' ' ' LEU . 1.6 mt-30 174.28 -40.65 0.01 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.739 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.686 HD23 ' HB3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -130.14 42.1 3.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 -179.741 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -25.87 61.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.755 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -84.84 -37.81 20.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.781 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.501 ' O ' HG23 ' A' ' 89' ' ' VAL . 5.9 t80 -55.83 -44.86 78.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.97 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 25.7 t-105 -59.35 -43.61 92.77 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.51 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -63.59 -37.64 88.1 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 27.1 mt -73.66 -19.24 17.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.08 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.688 ' HA ' HD12 ' A' ' 94' ' ' ILE . 9.7 t -83.33 -38.56 14.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.353 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.5 p -84.66 -35.0 9.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.622 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.94 -50.26 69.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.312 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.34 -5.12 1.48 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.825 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.28 2.78 90.34 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.957 -0.64 . . . . 0.0 113.09 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 89' ' ' VAL . 15.6 mt -60.14 121.5 8.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 117.049 0.424 . . . . 0.0 110.671 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.548 ' HA ' HD11 ' A' ' 116' ' ' LEU . 33.0 p -95.69 -166.49 1.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.521 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.841 HD13 HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -103.56 170.17 8.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.887 -179.615 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.794 HG22 HG21 ' A' ' 107' ' ' VAL . 1.7 mp -71.0 106.66 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.019 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.486 ' HA ' HG11 ' A' ' 107' ' ' VAL . 0.2 OUTLIER -106.19 145.24 31.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.803 -179.31 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 105' ' ' SER . 0.0 OUTLIER -46.18 -64.97 0.62 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.502 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.417 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -61.23 -29.74 70.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.996 -179.791 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.442 ' O ' HD13 ' A' ' 58' ' ' ILE . 4.2 mt-10 -82.58 12.66 4.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.784 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -113.38 -76.65 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.3 t -170.24 -78.09 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.25 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -93.98 34.6 4.58 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.969 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' A' ' 99' ' ' LYS . 0.3 OUTLIER 47.21 60.29 3.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.822 0.344 . . . . 0.0 111.406 179.893 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.482 ' O ' HG23 ' A' ' 107' ' ' VAL . 9.3 m -123.72 88.94 3.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.365 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.794 HG21 HG22 ' A' ' 97' ' ' ILE . 1.1 t 179.22 154.27 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.175 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.43 149.91 25.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.192 0.52 . . . . 0.0 111.808 -179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.79 -12.3 58.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.646 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -75.23 -19.6 59.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.232 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.603 ' HG3' HD12 ' A' ' 96' ' ' LEU . 4.2 tt0 -79.9 -49.1 12.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.83 0.348 . . . . 0.0 111.303 -179.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.543 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -76.01 -22.34 55.9 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.524 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -87.62 -49.83 6.9 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -70.04 -28.84 65.79 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.441 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . 9.6 m-85 -77.58 -47.45 19.38 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.548 HD11 ' HA ' ' A' ' 95' ' ' THR . 0.4 OUTLIER -83.98 37.86 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.939 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -100.97 154.6 37.06 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -68.86 154.99 70.04 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.545 2.164 . . . . 0.0 112.333 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -116.02 -59.77 1.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.145 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -57.08 -26.03 66.72 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.625 2.217 . . . . 0.0 112.251 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 p -100.97 103.51 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -120.6 143.45 36.32 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.692 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.62 -40.7 82.9 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.524 2.149 . . . . 0.0 112.399 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.61 -34.32 76.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.069 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.521 ' O ' HG22 ' A' ' 11' ' ' VAL . 1.9 tp10 -71.17 -51.95 21.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.932 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -56.55 -33.92 66.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.613 ' O ' HG22 ' A' ' 13' ' ' VAL . 6.0 t80 -73.46 -48.52 32.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.517 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -56.33 -39.43 72.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.198 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 7' ' ' GLU . 17.5 m -77.9 -42.35 28.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.031 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mt -54.43 -33.8 60.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.333 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 9' ' ' PHE . 16.9 m -92.93 -1.77 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.775 0.322 . . . . 0.0 111.311 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.39 41.13 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.414 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.449 ' H ' ' HG3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -115.99 -47.21 2.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.011 0.434 . . . . 0.0 111.032 179.706 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -151.67 -77.96 0.12 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.617 -178.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -159.28 83.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.473 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.85 -7.68 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.798 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 t 65.73 -90.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.218 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 t80 178.0 -36.51 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.13 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.29 -61.65 1.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.032 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -54.54 -50.02 68.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.671 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.573 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -59.91 -39.75 86.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.699 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.603 ' O ' HD12 ' A' ' 28' ' ' ILE . 49.9 m -66.45 -53.79 31.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.646 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -51.41 -49.41 61.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.572 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -47.46 84.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.684 179.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.8 -50.66 69.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.045 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.603 HD12 ' O ' ' A' ' 24' ' ' SER . 1.5 mp -58.53 -41.99 83.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.243 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.02 -45.83 93.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.857 0.361 . . . . 0.0 110.379 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -47.26 83.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.978 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.9 mt -56.92 -50.15 76.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.348 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.507 ' HA ' HD12 ' A' ' 35' ' ' LEU . 39.9 mt-10 -55.55 -43.02 75.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.676 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -59.82 -46.54 88.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.218 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -55.62 -31.93 62.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.904 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 32' ' ' GLU . 3.3 mt -69.48 -18.2 63.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.882 0.373 . . . . 0.0 111.077 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.13 -9.51 53.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.614 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.42 113.61 16.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.473 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -78.06 58.97 2.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.254 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.475 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 6.9 mm-40 -119.5 140.89 49.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.714 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.516 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 2.8 m -60.54 -49.47 89.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.761 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.516 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 32.7 Cg_exo -58.23 -24.32 66.61 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.155 1.904 . . . . 0.0 112.36 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -86.14 -36.72 19.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.013 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -72.2 -23.72 61.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.747 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 48.3 mtt -67.47 -29.46 68.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.887 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.94 -27.75 54.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.476 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.6 m -65.79 -51.13 61.56 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.82 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.466 ' O ' HG22 ' A' ' 50' ' ' ILE . 5.5 mt -60.57 -39.47 81.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.84 178.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.91 -25.38 66.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.799 178.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.1 m -83.09 -43.34 16.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.955 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.471 HG12 ' HZ ' ' A' ' 66' ' ' PHE . 3.0 tt -65.97 -28.12 42.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.724 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -77.62 -30.81 52.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.724 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.79 -34.09 57.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.936 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -80.37 -49.27 11.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.89 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.483 ' O ' HD13 ' A' ' 58' ' ' ILE . 4.0 tmt_? -52.34 -28.86 20.99 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.469 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -84.06 -53.58 5.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.283 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.11 -24.74 67.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.876 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.579 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -87.06 -59.76 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 0.0 111.702 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.483 HD13 ' O ' ' A' ' 54' ' ' ARG . 1.7 mp -55.43 -42.5 67.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.027 -179.451 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.439 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 1.1 mttt -50.02 -48.95 52.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.468 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.439 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 22.1 p90 -176.27 88.26 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 121.126 0.488 . . . . 0.0 111.169 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.579 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 6.6 t -174.08 -99.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.622 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -132.34 64.63 1.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.94 0.4 . . . . 0.0 111.238 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.48 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 9.1 pt-20 -53.47 -33.93 56.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.302 179.288 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.598 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 60.8 mt-30 -69.53 -20.61 63.69 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.923 0.392 . . . . 0.0 111.063 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -74.24 -18.63 60.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.338 0.589 . . . . 0.0 109.506 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.471 ' HZ ' HG12 ' A' ' 50' ' ' ILE . 13.0 t80 -87.2 -46.91 9.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.15 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.598 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.6 OUTLIER -68.4 -18.86 64.55 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.744 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -72.25 -57.63 4.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.867 -1.06 . . . . 0.0 108.998 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -65.53 -28.84 69.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.677 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.714 HD13 HD13 ' A' ' 96' ' ' LEU . 7.9 mt -65.26 -50.83 64.25 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.672 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.6 mttt -54.08 -40.39 67.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.479 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.11 -43.37 57.82 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.108 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.639 ' O ' HG12 ' A' ' 77' ' ' VAL . 14.4 tp -58.35 -42.58 87.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.51 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -58.69 -51.55 69.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.811 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.91 -25.79 65.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.173 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.405 ' HG2' HE22 ' A' ' 81' ' ' GLN . 21.6 mttm -82.07 -51.99 7.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.812 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.7 HG21 ' HB2' ' A' ' 86' ' ' TRP . 2.9 p -61.94 -36.74 75.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.829 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.88 -53.19 59.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.907 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.2 mm -61.18 -91.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.744 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -160.94 106.94 1.42 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.744 0.306 . . . . 0.0 110.968 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.405 HE22 ' HG2' ' A' ' 76' ' ' LYS . 2.1 mt-30 -169.72 -68.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.063 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.592 ' HB2' ' HB2' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -131.34 56.44 1.8 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.004 -179.696 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.2 -30.63 66.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.033 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -71.27 -37.02 71.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.592 ' HB2' ' HB2' ' A' ' 82' ' ' LEU . 6.3 t80 -54.91 -48.36 73.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.995 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.7 ' HB2' HG21 ' A' ' 77' ' ' VAL . 10.9 t-105 -55.83 -47.21 77.62 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.336 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -63.82 -36.59 84.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.922 0.391 . . . . 0.0 110.32 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.0 mt -77.98 -18.2 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.483 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 85' ' ' PHE . 14.7 t -84.53 -36.43 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.935 -179.34 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.46 HG23 HD23 ' A' ' 116' ' ' LEU . 11.2 p -81.23 -38.57 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.226 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -59.41 -45.77 90.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.557 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -3.84 0.79 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.404 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 85.73 -28.52 4.88 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.964 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.546 HD12 HG13 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -55.02 134.28 18.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.853 0.326 . . . . 0.0 110.727 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.489 ' HB ' HD13 ' A' ' 116' ' ' LEU . 1.3 p -125.99 168.15 14.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.793 HD12 ' HG3' ' A' ' 111' ' ' GLU . 0.1 OUTLIER -51.76 169.85 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.246 179.72 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.55 ' O ' HG11 ' A' ' 107' ' ' VAL . 1.5 mp -71.95 119.3 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.481 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.507 ' HB ' ' HB2' ' A' ' 101' ' ' GLU . 0.2 OUTLIER -104.83 148.19 26.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.977 0.418 . . . . 0.0 112.083 -179.602 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.563 ' HG3' ' H ' ' A' ' 107' ' ' VAL . 22.9 tttt -25.91 -88.29 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.19 -0.914 . . . . 0.0 113.394 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.525 ' C ' ' H ' ' A' ' 102' ' ' ALA . 3.4 pt-20 -67.31 -7.22 22.84 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.507 ' HB2' ' HB ' ' A' ' 98' ' ' THR . 2.7 tp10 -68.3 14.84 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.788 0.328 . . . . 0.0 111.241 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.525 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -128.35 -60.01 1.14 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.82 -45.79 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.706 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 176.72 45.96 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.761 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.4 t -119.68 134.59 55.17 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.201 0.524 . . . . 0.0 111.712 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.509 ' HA ' ' HG3' ' A' ' 99' ' ' LYS . 65.4 m -65.53 139.68 58.49 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.415 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.563 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 5.1 t -143.13 134.47 23.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.39 179.315 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.39 149.96 15.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.524 -178.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' ' 113' ' ' LYS . . . -81.59 -11.97 58.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.948 178.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.472 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 3.2 tt0 -85.08 -16.41 40.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.184 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.793 ' HG3' HD12 ' A' ' 96' ' ' LEU . 6.7 tt0 -84.01 -47.11 11.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.347 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.493 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.9 -41.99 12.82 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -178.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 109' ' ' ALA . 16.6 mttt -85.16 -43.3 13.96 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -177.462 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.472 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 2.0 tmtp? -67.45 -31.77 72.17 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -178.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -75.55 -47.76 25.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.68 0.276 . . . . 0.0 111.731 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.489 HD13 ' HB ' ' A' ' 95' ' ' THR . 1.5 mp -104.72 66.87 0.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 111.094 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.59 152.48 72.7 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.07 -69.03 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.455 2.104 . . . . 0.0 112.297 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -125.82 -26.19 3.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -55.51 155.34 21.36 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.647 2.231 . . . . 0.0 112.35 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.2 m -122.44 -38.78 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.227 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 62.83 107.05 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.439 ' HD2' ' HE2' ' A' ' 45' ' ' LYS . 69.0 Cg_exo -51.12 -30.56 32.44 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.466 2.111 . . . . 0.0 112.56 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.41 -37.8 86.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.455 ' O ' HG22 ' A' ' 11' ' ' VAL . 30.4 mt-10 -76.04 -46.29 30.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -60.98 -30.34 70.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.623 ' O ' HG22 ' A' ' 13' ' ' VAL . 1.1 t80 -76.69 -48.3 19.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.63 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -59.91 -35.16 74.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.243 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 7' ' ' GLU . 31.6 m -79.17 -43.53 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.347 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.424 ' N ' HG23 ' A' ' 11' ' ' VAL . 0.8 OUTLIER -57.68 -28.89 64.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.258 179.846 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 9' ' ' PHE . 20.6 m -94.75 -2.43 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.831 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -118.42 44.19 2.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.701 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -116.2 -48.41 2.72 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.714 0.292 . . . . 0.0 110.88 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HG2' ' HD2' ' A' ' 17' ' ' LYS . 0.2 OUTLIER 172.3 -46.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.019 -179.7 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 10.5 mttt -152.23 154.84 36.56 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.822 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 17' ' ' LYS . . . 169.6 -22.62 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.37 -179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m 70.87 118.14 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.547 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -54.72 -35.62 63.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.074 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -57.83 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.778 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.04 -49.99 70.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.734 0.302 . . . . 0.0 111.481 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.563 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -60.88 -37.62 82.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.293 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.9 p -66.62 -52.59 43.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.555 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -53.85 -48.24 70.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.597 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -59.13 -48.35 81.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.951 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -56.85 -49.03 76.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.14 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.1 tp -61.83 -36.41 73.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.304 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.67 -45.91 81.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.864 0.364 . . . . 0.0 110.178 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -58.81 -45.45 89.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.958 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.1 mt -57.9 -50.28 78.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.434 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.56 ' HA ' HD12 ' A' ' 35' ' ' LEU . 34.0 mt-10 -53.77 -45.47 70.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.718 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -58.78 -46.4 87.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.265 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -55.8 -31.92 63.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.7 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 32' ' ' GLU . 2.8 mt -82.11 -19.0 40.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.776 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -75.25 -0.04 18.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.058 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -142.65 134.05 26.33 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.036 0.446 . . . . 0.0 110.615 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -83.52 114.79 21.74 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.63 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -165.08 140.29 5.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.696 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.512 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 2.4 m -69.07 -49.76 23.74 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.606 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.512 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 17.3 Cg_exo -67.01 -13.89 41.6 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.364 2.043 . . . . 0.0 112.281 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -86.11 -48.27 8.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.005 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.445 ' HE1' HD23 ' A' ' 35' ' ' LEU . 11.2 m-85 -63.83 -37.55 87.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.751 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.9 ttt -53.3 -31.22 42.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.776 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.439 ' HE2' ' HD2' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -74.9 -56.27 4.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.319 179.624 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 49' ' ' CYS . 0.7 OUTLIER -43.86 -49.1 8.38 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.869 178.822 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 70.1 mt -55.87 -52.04 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.892 0.377 . . . . 0.0 110.479 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.08 -18.53 65.38 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.307 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 46' ' ' SER . 1.8 m -78.71 -42.41 28.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.869 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.428 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -68.0 -28.01 39.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.226 179.064 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -77.44 -30.18 53.22 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.769 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.76 -36.25 37.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.376 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.78 -47.13 19.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.453 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.448 ' O ' HG23 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -46.58 -46.09 19.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.713 179.219 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -68.34 -44.87 74.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.529 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.85 -28.35 69.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.46 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.596 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.23 -55.63 3.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.207 -179.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.512 HG13 ' H ' ' A' ' 59' ' ' LYS . 1.1 pt -54.6 -41.55 55.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.507 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.512 ' H ' HG13 ' A' ' 58' ' ' ILE . 48.3 mttt -50.67 -56.29 12.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.727 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -179.68 79.13 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.855 0.359 . . . . 0.0 111.451 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.596 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -159.54 -100.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.358 179.677 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -132.74 63.2 1.64 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.991 0.424 . . . . 0.0 111.111 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -54.13 -35.08 61.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.532 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.548 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 38.2 mt-30 -74.27 -22.71 59.19 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.776 0.322 . . . . 0.0 111.219 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 65' ' ' ARG . 1.5 ttm-85 -71.96 -19.5 61.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.128 0.489 . . . . 0.0 109.937 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.437 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -88.25 -43.22 11.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.516 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.548 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 1.8 p30 -72.23 -21.72 61.35 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.065 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -67.14 -58.11 5.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.784 -1.098 . . . . 0.0 108.796 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -67.88 -28.91 67.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.764 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.832 HD13 HD13 ' A' ' 96' ' ' LEU . 3.6 mt -64.17 -46.99 81.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.491 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -56.43 -37.9 70.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.434 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.37 -43.67 49.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.781 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.676 HD11 HD11 ' A' ' 82' ' ' LEU . 21.5 tp -59.8 -41.42 91.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.575 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -52.14 66.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.855 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.438 ' O ' HD12 ' A' ' 79' ' ' ILE . 12.1 mt-10 -59.12 -27.42 65.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -81.28 -54.73 5.24 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.569 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.673 HG12 ' O ' ' A' ' 73' ' ' LEU . 4.8 p -59.87 -30.06 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.911 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.26 -52.09 62.47 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.454 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.438 HD12 ' O ' ' A' ' 75' ' ' GLU . 3.9 mt -62.14 -88.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.748 179.064 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -160.57 112.01 1.89 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.755 0.312 . . . . 0.0 111.168 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.55 ' HB3' HD23 ' A' ' 82' ' ' LEU . 3.5 mt-30 -171.28 -67.6 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.676 HD11 HD11 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -132.7 56.56 1.84 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.907 -179.888 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -57.56 -29.03 64.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.292 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -75.23 -35.94 61.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.139 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.669 ' O ' HG22 ' A' ' 89' ' ' VAL . 25.7 t80 -63.93 -28.85 70.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.136 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 42.5 t-105 -77.59 -51.54 10.49 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.844 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -61.3 -19.18 61.47 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.131 0.491 . . . . 0.0 109.933 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.438 ' O ' ' HG2' ' A' ' 91' ' ' GLN . 34.4 mt -85.07 -60.88 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.388 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.669 HG22 ' O ' ' A' ' 85' ' ' PHE . 5.3 m -49.76 -31.59 6.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.48 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 91' ' ' GLN . 8.7 p -73.01 -52.93 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.363 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.515 ' N ' HG13 ' A' ' 90' ' ' VAL . 9.5 pt20 -56.94 -37.1 71.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.829 178.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.67 -5.46 1.28 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.688 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 84.95 -21.5 11.44 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.74 -0.743 . . . . 0.0 114.132 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.453 HD11 HG12 ' A' ' 89' ' ' VAL . 20.1 pt -64.43 137.39 24.96 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 117.853 0.827 . . . . 0.0 110.631 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.505 ' HB ' HD13 ' A' ' 116' ' ' LEU . 12.8 p -127.68 167.9 15.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.531 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.832 HD13 HD13 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -50.5 170.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.511 179.713 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.459 ' O ' HG22 ' A' ' 97' ' ' ILE . 1.2 mp -66.39 114.18 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.017 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.7 142.4 32.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.031 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.635 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -46.59 -42.51 16.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.983 179.876 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.11 -29.83 0.67 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.596 -179.374 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.445 ' HB3' ' HB ' ' A' ' 58' ' ' ILE . 34.9 mt-10 -92.41 -52.12 4.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.521 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.22 -96.87 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.9 t -120.87 -1.28 9.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.862 0.363 . . . . 0.0 111.026 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.445 ' C ' ' H ' ' A' ' 106' ' ' SER . . . 91.16 121.12 2.48 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.884 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.589 ' N ' ' HB2' ' A' ' 99' ' ' LYS . 3.4 m 66.69 -15.36 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.721 ' O ' HG23 ' A' ' 107' ' ' VAL . 3.6 m -92.52 91.15 7.46 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.384 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 106' ' ' SER . 1.1 t 172.78 131.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.507 178.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.432 HG23 ' H ' ' A' ' 111' ' ' GLU . 12.3 t -65.01 150.71 47.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.341 0.591 . . . . 0.0 112.347 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.36 -11.69 59.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.412 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.552 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 28.4 mt-10 -82.3 -17.19 46.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.367 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.538 ' HG3' HD12 ' A' ' 96' ' ' LEU . 8.9 tt0 -85.37 -50.68 7.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.201 -179.211 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.53 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.62 -37.28 16.93 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -178.147 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.445 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -87.22 -46.15 9.99 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -177.65 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.552 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -66.4 -28.91 68.99 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.352 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -71.42 -47.58 55.02 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.505 HD13 ' HB ' ' A' ' 95' ' ' THR . 1.4 mp -92.2 -18.01 24.06 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -178.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 113' ' ' LYS . . . -122.48 106.55 35.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.294 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.56 -18.05 20.22 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.477 2.118 . . . . 0.0 112.27 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -147.53 -58.92 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.409 HD22 ' H ' ' A' ' 6' ' ' ALA . 1.8 t30 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.421 0.153 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.59 -34.7 84.18 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.513 2.142 . . . . 0.0 112.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.409 ' H ' HD22 ' A' ' 4' ' ' ASN . . . -71.22 -37.05 72.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.205 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.505 ' O ' HG23 ' A' ' 11' ' ' VAL . 25.0 mt-10 -69.71 -47.28 63.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.95 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -61.99 -34.42 76.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.822 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.517 ' O ' HG22 ' A' ' 13' ' ' VAL . 3.4 t80 -70.24 -47.46 61.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.642 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -59.11 -35.48 73.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.054 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 7' ' ' GLU . 76.0 t -76.61 -44.12 34.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.186 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -29.69 67.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.237 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 9' ' ' PHE . 27.8 m -94.16 -4.38 10.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.483 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.57 40.78 3.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -116.06 -47.35 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.983 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 4.8 pttt -175.87 -40.62 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.575 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 94.8 mttt -154.13 157.13 38.45 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.181 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.484 ' C ' ' H ' ' A' ' 20' ' ' PHE . . . -169.49 -31.94 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.178 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m 70.45 -21.75 0.18 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.703 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.484 ' H ' ' C ' ' A' ' 18' ' ' ALA . 6.9 t80 67.55 55.75 0.62 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.105 0.479 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -141.39 -57.78 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.72 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.14 -43.19 74.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.62 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.77 -31.02 70.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.951 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.4 m -77.31 -57.89 3.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.577 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.408 ' O ' HG22 ' A' ' 28' ' ' ILE . 7.5 m-80 -51.28 -44.16 61.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.757 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -63.34 -42.91 98.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.313 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.5 HD13 ' HD2' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -57.33 -47.43 81.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.595 179.462 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.408 HG22 ' O ' ' A' ' 25' ' ' ASN . 1.1 tp -63.66 -34.01 65.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.679 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -65.24 -44.46 88.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.808 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -60.88 -44.35 97.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.775 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.447 HD11 ' HB3' ' A' ' 49' ' ' CYS . 94.5 mt -56.76 -50.85 73.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.092 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.541 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -53.6 -44.46 69.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.698 179.475 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -59.96 -45.64 91.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.308 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -56.42 -32.17 64.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.606 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 32' ' ' GLU . 3.1 mt -82.17 -18.61 42.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.74 -49.62 75.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.75 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -49.82 -61.91 1.86 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.209 179.74 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 37' ' ' THR . 71.2 m-20 92.35 59.99 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.905 0.753 . . . . 0.0 110.788 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.4 ' HB2' ' HD2' ' A' ' 42' ' ' TYR . 33.0 mt-10 -131.7 163.08 28.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.617 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.545 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 24.4 m -68.72 -48.96 30.1 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.904 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.545 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 16.7 Cg_exo -67.52 -9.5 25.58 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.26 1.973 . . . . 0.0 112.389 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.4 ' HD2' ' HB2' ' A' ' 39' ' ' GLU . 2.3 m-85 -86.92 -26.12 24.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -73.81 -23.74 59.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.77 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -35.89 80.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.631 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -71.3 -33.95 70.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.667 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.0 m -66.71 -50.38 63.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.395 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.419 HD11 HG21 ' A' ' 88' ' ' ILE . 14.4 mt -58.37 -43.64 86.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.49 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.7 -25.05 67.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.33 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.447 ' HB3' HD11 ' A' ' 31' ' ' ILE . 5.3 m -80.57 -39.46 27.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.355 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.478 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -72.62 -27.06 24.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.634 179.559 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -77.05 -30.83 55.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.006 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.34 -34.51 31.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.065 0.46 . . . . 0.0 110.604 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.5 ' HD2' HD13 ' A' ' 27' ' ' LEU . 1.7 t80 -78.11 -48.36 16.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.835 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 3.5 tmm_? -51.67 -42.81 62.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.475 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -68.59 -46.45 69.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.75 0.309 . . . . 0.0 111.423 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -64.24 -26.43 68.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.144 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.621 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -84.33 -56.3 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.63 HG22 HG13 ' A' ' 97' ' ' ILE . 1.3 pp -56.1 -41.62 69.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.616 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.484 ' H ' HG13 ' A' ' 58' ' ' ILE . 11.9 mmtt -50.44 -56.32 12.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.721 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -179.2 77.77 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.756 0.313 . . . . 0.0 111.351 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.621 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -158.82 -99.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.449 179.692 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -131.54 64.02 1.6 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.931 0.396 . . . . 0.0 111.11 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -53.01 -36.45 60.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.353 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.547 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 6.1 mm-40 -71.86 -23.84 61.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.879 0.371 . . . . 0.0 111.111 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.3 ttt85 -72.61 -19.44 61.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.272 0.558 . . . . 0.0 109.66 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -87.31 -45.29 10.72 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.561 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.547 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 1.6 p30 -70.46 -18.86 62.99 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -73.47 -58.21 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.042 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -65.29 -28.58 69.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.408 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.44 HD13 ' CD1' ' A' ' 96' ' ' LEU . 9.7 mt -66.73 -47.11 73.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.342 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -56.01 -42.13 75.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.519 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.65 -43.68 54.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.263 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.694 ' O ' HG13 ' A' ' 77' ' ' VAL . 8.0 tp -57.47 -49.38 76.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -55.86 -51.85 66.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.035 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.548 ' O ' HD12 ' A' ' 79' ' ' ILE . 7.0 mt-10 -68.9 -25.12 64.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.318 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -75.27 -53.55 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.247 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.694 HG13 ' O ' ' A' ' 73' ' ' LEU . 2.4 m -63.29 -27.94 44.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.929 0.395 . . . . 0.0 110.554 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.66 -51.17 59.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.256 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.548 HD12 ' O ' ' A' ' 75' ' ' GLU . 3.5 mt -92.89 53.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.261 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.556 ' HD3' HD21 ' A' ' 82' ' ' LEU . 48.7 tttt -155.75 -82.7 0.07 Allowed 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.032 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.414 ' H ' ' HB3' ' A' ' 80' ' ' LYS . 2.8 mt-30 -176.95 -35.94 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.574 0.226 . . . . 0.0 111.38 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.651 HD12 HG12 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -74.08 37.53 0.1 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.679 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.404 ' HA ' HG23 ' A' ' 77' ' ' VAL . 1.0 OUTLIER -64.56 -15.52 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.061 0.458 . . . . 0.0 110.263 179.236 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -66.51 -30.87 71.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.448 ' O ' HG23 ' A' ' 89' ' ' VAL . 25.7 t80 -57.56 -33.43 68.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.534 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.506 ' O ' ' HB ' ' A' ' 90' ' ' VAL . 64.6 t-105 -77.24 -44.83 28.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.353 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -63.0 -21.62 66.28 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.419 HG21 HD11 ' A' ' 47' ' ' ILE . 52.2 mt -85.89 -62.25 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.249 179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 85' ' ' PHE . 60.8 t -50.75 -29.59 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.344 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.506 ' HB ' ' O ' ' A' ' 86' ' ' TRP . 1.2 t -82.05 -50.61 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.579 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.47 ' N ' HG12 ' A' ' 90' ' ' VAL . 9.2 mt-30 -52.8 -29.68 28.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.47 9.1 1.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.309 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 71.94 7.14 65.57 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.961 -0.638 . . . . 0.0 113.007 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.7 mt -81.56 143.1 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.786 0.327 . . . . 0.0 111.192 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.0 t -129.81 167.92 17.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.67 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.546 HD23 ' HG3' ' A' ' 111' ' ' GLU . 0.3 OUTLIER -62.36 -177.6 0.14 Allowed 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.33 0.586 . . . . 0.0 111.421 -179.797 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.769 HG22 HG21 ' A' ' 107' ' ' VAL . 1.7 mp -67.06 111.77 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.112 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.401 HG23 ' CB ' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -96.26 141.22 29.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.36 -179.448 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.454 ' C ' ' HA ' ' A' ' 105' ' ' SER . 0.1 OUTLIER -47.15 -59.87 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.45 179.723 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.434 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 1.7 tm-20 -63.81 -29.92 71.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.216 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.0 -5.32 2.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.01 0.433 . . . . 0.0 110.619 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.86 -164.05 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.522 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.7 t -113.07 79.62 1.26 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.981 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 147.21 1.86 0.54 Allowed Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.465 -0.874 . . . . 0.0 113.082 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.454 ' HA ' ' C ' ' A' ' 99' ' ' LYS . 47.7 m 46.0 64.35 1.5 Allowed 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.909 0.355 . . . . 0.0 111.273 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.647 ' O ' HG23 ' A' ' 107' ' ' VAL . 0.2 OUTLIER -123.87 89.19 3.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.844 -179.717 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.769 HG21 HG22 ' A' ' 97' ' ' ILE . 1.0 OUTLIER -173.99 131.73 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.359 178.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.21 153.17 44.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.928 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.474 ' HB1' ' HD2' ' A' ' 113' ' ' LYS . . . -66.82 -13.83 61.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.569 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.604 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 4.0 tt0 -84.07 -17.56 39.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.44 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.546 ' HG3' HD23 ' A' ' 96' ' ' LEU . 8.0 tt0 -84.58 -49.72 8.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.144 -179.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.401 ' CB ' HG23 ' A' ' 98' ' ' THR . . . -87.68 -39.02 15.35 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -178.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.474 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 17.3 mttt -86.55 -49.01 7.86 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.87 0.692 . . . . 0.0 112.87 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.604 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 5.9 tmtm? -60.18 -30.94 69.67 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -178.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.509 ' CD2' HD22 ' A' ' 96' ' ' LEU . 1.9 m-85 -74.01 -34.7 64.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.757 0.313 . . . . 0.0 111.186 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 115' ' ' PHE . 3.7 mp -130.27 83.46 2.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.985 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.031 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.3 t30 . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 120.529 0.204 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -84.92 -45.4 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.782 2.321 . . . . 0.0 113.131 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.07 -41.61 86.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.629 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.45 -45.02 66.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.218 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -65.72 -24.66 67.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.93 0.395 . . . . 0.0 110.831 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.683 ' O ' HG22 ' A' ' 13' ' ' VAL . 10.5 t80 -79.63 -52.17 8.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -62.61 -30.94 71.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.386 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 9.9 p -79.44 -43.58 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.231 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.426 ' N ' HG13 ' A' ' 11' ' ' VAL . 2.3 tt -58.84 -27.15 64.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 9' ' ' PHE . 6.4 m -95.53 -7.77 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.33 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -108.65 -5.2 16.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.656 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 13.4 mm100 -116.44 -11.01 11.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.613 0.244 . . . . 0.0 111.472 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.77 120.83 0.18 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -70.11 83.58 0.52 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.892 0.377 . . . . 0.0 110.978 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.52 26.93 2.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.633 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 m 74.97 117.46 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.619 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -59.49 -32.94 70.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.122 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -51.85 -56.31 14.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.896 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -55.78 -49.2 73.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.757 0.313 . . . . 0.0 111.538 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.448 ' HB1' ' CD1' ' A' ' 9' ' ' PHE . . . -61.54 -38.83 88.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.236 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.4 p -64.57 -51.6 61.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.588 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.405 ' O ' HG22 ' A' ' 28' ' ' ILE . 4.7 m-80 -54.41 -46.88 73.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.685 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -59.67 -46.75 88.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.745 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -47.42 82.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.952 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.471 ' HA ' HD12 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -62.61 -35.25 69.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.903 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.78 -45.24 83.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.982 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -59.13 -44.72 92.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.907 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.471 HD12 ' HA ' ' A' ' 28' ' ' ILE . 68.6 mt -57.62 -48.97 82.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.233 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.564 ' HA ' HD12 ' A' ' 35' ' ' LEU . 38.6 mt-10 -55.32 -42.59 73.97 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.432 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -59.92 -44.78 94.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.948 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -56.68 -30.31 63.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.618 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 32' ' ' GLU . 2.3 mt -73.95 -17.91 60.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.872 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -69.3 -6.57 30.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.738 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.98 112.57 16.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.61 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -79.19 58.73 2.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.211 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.402 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 4.4 mm-40 -111.82 165.93 11.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.805 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.495 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 19.3 m -81.05 -50.26 0.99 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.755 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 40' ' ' THR . 61.9 Cg_endo -72.91 -15.06 26.52 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.129 1.886 . . . . 0.0 112.534 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -81.67 -32.23 31.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.425 ' CZ ' HD23 ' A' ' 35' ' ' LEU . 3.6 m-85 -81.33 -25.34 36.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.976 0.417 . . . . 0.0 110.76 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 39.0 mtt -62.56 -32.18 73.11 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.968 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -75.84 -28.21 58.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.304 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 m -62.65 -49.2 76.1 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.513 ' O ' HG22 ' A' ' 50' ' ' ILE . 9.8 mt -60.79 -38.97 80.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.634 178.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.29 -27.11 68.8 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.13 178.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 79.6 m -80.54 -39.67 27.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.26 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 47' ' ' ILE . 3.8 tt -70.23 -27.7 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.664 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -74.83 -32.75 62.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.59 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.56 -35.07 58.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.15 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -78.67 -49.12 13.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.961 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.556 ' O ' ' HB ' ' A' ' 58' ' ' ILE . 1.0 OUTLIER -53.21 -27.48 22.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.276 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -85.52 -55.17 4.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.763 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -65.89 -26.43 67.62 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.579 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.6 -60.46 1.99 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.556 ' HB ' ' O ' ' A' ' 54' ' ' ARG . 1.8 mp -55.48 -41.14 61.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.262 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.482 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 62.5 mttt -51.52 -47.84 63.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.504 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.482 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 17.4 p90 -172.27 86.95 0.08 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.09 0.472 . . . . 0.0 111.273 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.579 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -174.4 -98.08 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.508 179.692 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' A' ' 65' ' ' ARG . 31.0 mt-10 -133.84 65.0 1.59 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.13 -179.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.473 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 4.7 pt-20 -53.11 -34.81 58.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.28 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.593 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 37.1 mt-30 -64.71 -19.0 65.51 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.908 0.385 . . . . 0.0 111.155 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.419 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -75.29 -18.33 60.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.911 179.689 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.459 ' CZ ' HG12 ' A' ' 50' ' ' ILE . 6.6 t80 -87.29 -48.47 7.98 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.782 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.593 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.3 OUTLIER -63.88 -18.38 64.12 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 177.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -75.43 -57.5 3.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.251 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -65.01 -29.73 70.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.317 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.536 HD13 HD13 ' A' ' 96' ' ' LEU . 7.6 mt -66.76 -51.18 58.85 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.685 0.279 . . . . 0.0 110.47 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -53.9 -42.19 68.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.952 0.406 . . . . 0.0 110.637 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.82 -44.06 64.55 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.868 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.457 HD11 HD13 ' A' ' 82' ' ' LEU . 10.1 tp -59.94 -36.09 76.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.353 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.529 ' HA ' HG12 ' A' ' 77' ' ' VAL . 3.5 tm0? -64.88 -54.81 25.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.413 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.44 ' O ' HD12 ' A' ' 79' ' ' ILE . 19.1 mt-10 -53.76 -33.09 54.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.504 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -81.51 -57.42 3.48 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.164 0.507 . . . . 0.0 110.627 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.687 HG21 ' HB2' ' A' ' 86' ' ' TRP . 9.6 p -52.14 -31.74 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.421 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -55.86 -53.35 57.83 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.562 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.44 HD12 ' O ' ' A' ' 75' ' ' GLU . 3.7 mt -62.95 -89.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.962 179.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.03 172.13 16.22 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.459 ' O ' HD23 ' A' ' 82' ' ' LEU . 1.5 mt-30 66.96 118.28 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.653 HD11 ' HB ' ' A' ' 77' ' ' VAL . 0.2 OUTLIER 80.91 11.15 0.91 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.766 0.826 . . . . 0.0 110.378 179.534 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.442 ' HA ' ' CG2' ' A' ' 77' ' ' VAL . 15.1 t-20 -54.64 -42.43 71.24 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.944 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -62.12 -31.86 72.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.11 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.467 ' HB3' HD12 ' A' ' 82' ' ' LEU . 11.2 t80 -55.93 -39.18 71.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.028 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.687 ' HB2' HG21 ' A' ' 77' ' ' VAL . 53.5 t-105 -76.01 -42.8 46.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.594 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.46 -27.82 67.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.043 0.449 . . . . 0.0 109.929 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 54.8 mt -86.04 -59.85 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.517 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.525 ' HA ' HD12 ' A' ' 94' ' ' ILE . 18.6 t -46.81 -34.92 2.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.498 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 91' ' ' GLN . 1.1 t -76.62 -48.55 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.337 . . . . 0.0 110.153 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.453 ' N ' HG12 ' A' ' 90' ' ' VAL . 45.2 tt0 -55.03 -40.21 69.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.775 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.92 -1.65 3.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.18 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.05 5.58 87.08 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.942 -0.647 . . . . 0.0 113.316 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 89' ' ' VAL . 39.8 mt -60.84 126.7 19.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 117.11 0.455 . . . . 0.0 110.568 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.672 ' HA ' HD11 ' A' ' 116' ' ' LEU . 35.7 p -97.93 -166.48 1.38 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.184 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.569 HD12 ' HG3' ' A' ' 111' ' ' GLU . 0.5 OUTLIER -103.19 170.39 7.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.947 -179.237 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.573 HG22 HG21 ' A' ' 107' ' ' VAL . 1.3 mp -67.76 103.25 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.1 m -99.76 140.2 34.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.054 0.455 . . . . 0.0 111.994 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.551 ' HB3' ' N ' ' A' ' 107' ' ' VAL . 6.4 ptmt -49.13 -54.93 14.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.923 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.422 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 47.1 tt0 -57.39 -29.99 64.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.494 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -109.1 22.16 16.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.143 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.63 -95.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.265 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.6 t -137.27 -18.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.569 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 174.1 57.59 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.194 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.432 ' HA ' ' HB2' ' A' ' 99' ' ' LYS . 4.4 m 51.6 46.29 26.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.808 0.337 . . . . 0.0 111.151 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.43 ' O ' HG23 ' A' ' 107' ' ' VAL . 1.3 m -123.39 89.12 3.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.352 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.573 HG21 HG22 ' A' ' 97' ' ' ILE . 1.2 t 174.41 146.6 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.998 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.39 150.18 27.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.097 0.475 . . . . 0.0 111.675 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.18 -13.12 58.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.308 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 15.1 mt-10 -63.12 -21.91 66.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.895 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.569 ' HG3' HD12 ' A' ' 96' ' ' LEU . 6.1 tt0 -85.32 -51.06 6.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.912 0.387 . . . . 0.0 111.187 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.509 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -67.77 -24.86 65.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.218 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -87.59 -52.1 5.52 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 2.9 tmtp? -64.72 -31.35 72.53 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -178.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.4 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . 15.3 m-85 -78.28 -47.35 18.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.59 0.233 . . . . 0.0 111.556 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.672 HD11 ' HA ' ' A' ' 95' ' ' THR . 1.5 mt -91.27 37.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.927 0.394 . . . . 0.0 110.8 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.0 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.415 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.8 t30 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.46 0.171 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 4' ' ' ASN . 20.1 Cg_exo -66.05 -41.68 12.79 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.579 2.186 . . . . 0.0 112.384 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.9 -43.25 75.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.355 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.474 ' O ' HG23 ' A' ' 11' ' ' VAL . 26.7 tt0 -66.06 -46.3 78.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.134 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -63.91 -33.21 75.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.981 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.561 ' O ' HG22 ' A' ' 13' ' ' VAL . 4.8 t80 -70.4 -50.49 38.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -59.45 -37.97 79.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.254 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 7' ' ' GLU . 86.6 t -72.01 -44.63 65.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.384 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.92 -31.18 68.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.377 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 9' ' ' PHE . 24.5 m -94.76 -9.58 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.616 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -90.51 -57.04 2.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.812 0.339 . . . . 0.0 111.387 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -55.32 -27.81 49.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.341 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.64 132.02 0.11 Allowed 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.99 91.8 0.22 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.182 0.515 . . . . 0.0 110.444 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.19 -54.53 39.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.301 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 t -174.07 -29.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.045 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.9 t80 75.82 -56.41 0.59 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.242 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -52.88 -46.37 67.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.324 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -61.43 -48.17 82.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.45 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -64.01 -33.77 76.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.711 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.619 ' O ' HD12 ' A' ' 28' ' ' ILE . 50.2 m -65.84 -53.36 41.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.127 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -51.93 -42.6 62.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.472 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -65.63 -44.56 86.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.302 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.17 -44.05 78.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.772 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.619 HD12 ' O ' ' A' ' 24' ' ' SER . 1.6 mp -65.95 -43.15 92.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.661 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -43.05 93.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.437 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -61.0 -50.15 74.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.211 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.5 mt -57.04 -49.51 79.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.583 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -56.17 -36.04 67.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.763 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -67.31 -47.28 71.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.301 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -59.52 -24.14 63.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.792 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.523 HD21 HD13 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -61.9 -50.23 73.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.709 179.745 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -51.86 -18.61 1.36 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.195 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.44 99.84 11.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.485 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -77.2 45.81 0.47 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.451 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.528 ' HB2' ' HB2' ' A' ' 42' ' ' TYR . 15.4 mm-40 -102.74 146.36 28.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 110.781 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.505 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.2 m -62.62 -50.37 78.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.103 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 40' ' ' THR . 59.9 Cg_endo -71.75 -18.78 28.26 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.108 1.872 . . . . 0.0 112.738 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.528 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 9.0 m-85 -79.01 -41.14 29.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.108 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -65.55 -17.63 64.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 55.1 mtt -74.53 -26.94 60.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.322 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -73.13 -33.73 65.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.875 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -50.99 60.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.054 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.551 ' O ' HG22 ' A' ' 50' ' ' ILE . 13.8 mt -59.19 -41.85 85.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.137 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.98 -26.63 67.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.941 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -81.44 -44.42 17.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.497 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.551 HG22 ' O ' ' A' ' 47' ' ' ILE . 11.6 tt -66.02 -27.62 41.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.775 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -79.0 -31.0 44.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.788 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.13 -37.67 45.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.414 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -75.72 -48.39 22.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.636 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.536 ' O ' HG23 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -49.01 -46.43 44.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.3 179.64 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -66.86 -47.39 72.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.661 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.22 -31.35 71.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.657 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.564 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -83.04 -54.07 5.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.558 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.536 HG23 ' O ' ' A' ' 54' ' ' ARG . 1.7 pp -57.48 -43.51 83.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.984 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.478 ' H ' HG13 ' A' ' 58' ' ' ILE . 55.1 mttt -49.46 -52.27 30.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.533 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.447 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 19.7 p90 -176.44 88.52 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.078 0 CA-C-O 121.14 0.495 . . . . 0.0 111.298 178.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.564 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 3.3 t -173.56 -96.77 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.752 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' A' ' 65' ' ' ARG . 36.1 mt-10 -135.56 64.93 1.56 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.165 -179.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.532 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 13.6 pt-20 -53.41 -34.18 56.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.294 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.582 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 55.3 mt-30 -67.47 -18.04 64.92 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.936 0.398 . . . . 0.0 111.009 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 5.8 ttt180 -74.89 -17.64 60.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.332 0.587 . . . . 0.0 109.557 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.423 ' CD2' HD13 ' A' ' 97' ' ' ILE . 15.4 t80 -86.84 -48.85 7.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.636 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.582 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.3 OUTLIER -66.55 -18.84 65.59 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.458 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -72.19 -57.96 3.81 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.123 178.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -68.68 -23.71 64.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.891 178.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.996 HD13 HD13 ' A' ' 96' ' ' LEU . 9.1 mt -67.25 -52.11 44.81 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.501 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -57.63 -42.32 83.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.718 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.51 -45.97 64.57 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.063 0.459 . . . . 0.0 111.245 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.758 ' O ' HG13 ' A' ' 77' ' ' VAL . 12.8 tp -59.77 -58.66 7.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.628 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.407 ' HA ' HE21 ' A' ' 74' ' ' GLN . 0.0 OUTLIER -48.71 -58.47 4.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.029 -179.335 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -52.98 -41.3 64.46 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.519 -178.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -66.22 -58.17 5.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.35 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.758 HG13 ' O ' ' A' ' 73' ' ' LEU . 0.9 OUTLIER -63.29 -22.98 32.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.685 -179.437 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -49.72 76.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.126 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.4 mt -69.95 54.13 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 112.964 0.728 . . . . 0.0 112.964 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 80' ' ' LYS . 0.6 OUTLIER 50.61 64.46 1.81 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 177.674 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.517 ' HB3' HD23 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -122.44 -77.27 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.999 178.634 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.523 HD13 HD21 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -136.65 62.43 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.989 0.423 . . . . 0.0 110.867 179.097 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -66.83 -24.08 66.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.232 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -53.14 -52.11 59.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.598 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.547 ' HA ' HD12 ' A' ' 88' ' ' ILE . 21.0 t80 -52.05 -42.66 63.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.555 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.528 ' HH2' HD21 ' A' ' 96' ' ' LEU . 74.6 t-105 -61.46 -40.69 95.44 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.178 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -64.43 -38.81 92.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.073 0.463 . . . . 0.0 109.902 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 85' ' ' PHE . 2.7 mt -77.8 -18.58 13.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.982 179.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.644 ' HA ' HD12 ' A' ' 94' ' ' ILE . 2.7 t -81.52 -40.59 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.164 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.1 p -76.98 -36.46 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.339 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -62.49 -48.89 77.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.61 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -10.48 4.88 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.315 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.44 30.22 14.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.949 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 89' ' ' VAL . 15.7 mt -92.54 116.44 33.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.037 0.446 . . . . 0.0 110.69 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.819 HG23 ' H ' ' A' ' 97' ' ' ILE . 11.7 t -92.78 -167.02 1.65 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.556 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.996 HD13 HD13 ' A' ' 70' ' ' LEU . 1.1 mm? -98.83 5.19 47.57 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.578 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.819 ' H ' HG23 ' A' ' 95' ' ' THR . 0.5 OUTLIER 84.72 121.17 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 O-C-N 124.132 0.895 . . . . 0.0 109.742 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.72 150.55 33.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.592 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.523 ' HB2' ' HA ' ' A' ' 105' ' ' SER . 0.0 OUTLIER -43.44 -56.7 3.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.789 179.655 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -62.4 -26.39 68.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.441 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -103.64 16.31 26.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.146 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.87 -94.48 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.274 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.9 -16.24 0.69 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.924 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 175.24 57.6 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.428 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.523 ' HA ' ' HB2' ' A' ' 99' ' ' LYS . 58.1 m 52.93 43.65 31.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.675 0.274 . . . . 0.0 111.363 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.53 ' O ' HG23 ' A' ' 107' ' ' VAL . 1.0 OUTLIER -123.89 89.01 3.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.77 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 106' ' ' SER . 0.9 OUTLIER 170.5 139.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.929 179.112 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.05 150.35 46.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 111.232 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.17 -48.46 12.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.661 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -42.2 -21.89 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.218 179.174 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.438 ' CG ' ' HB3' ' A' ' 96' ' ' LEU . 3.9 tt0 -74.26 -52.53 12.04 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.416 0.627 . . . . 0.0 109.744 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.638 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -78.76 -19.61 51.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.88 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -88.54 -48.56 7.49 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 0.5 OUTLIER -72.53 -20.3 61.37 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -178.054 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.499 ' CG ' ' HG ' ' A' ' 96' ' ' LEU . 4.9 m-85 -83.34 -47.69 11.2 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.577 HD11 ' HA ' ' A' ' 95' ' ' THR . 2.0 mp -82.33 57.65 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 111.147 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.778 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 CA--C 1.53 0.208 0 CA-C-O 120.552 0.215 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.99 -29.53 54.89 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.452 2.102 . . . . 0.0 112.567 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.73 -37.41 84.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.054 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 11' ' ' VAL . 22.0 mt-10 -72.17 -47.87 47.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.805 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -62.38 -29.07 70.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.654 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.43 ' O ' HG22 ' A' ' 13' ' ' VAL . 71.7 t80 -72.55 -52.42 15.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.626 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 10' ' ' ARG . 51.2 mtt180 -57.3 -34.94 69.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.006 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 7' ' ' GLU . 84.1 t -78.03 -45.96 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.004 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 mt -51.87 -32.15 30.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 9' ' ' PHE . 16.5 m -89.25 -40.16 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -82.29 56.0 3.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -116.1 -47.7 2.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.758 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.587 ' HG3' ' H ' ' A' ' 17' ' ' LYS . 22.3 pttt 179.59 -52.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.691 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.587 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 20.0 tttt -176.38 61.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.92 -2.32 57.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.055 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 m 68.64 127.47 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.983 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -62.92 -32.57 73.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.187 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -48.9 -64.91 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -52.3 -51.07 60.67 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.56 -38.85 82.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.565 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.7 m -65.9 -53.01 45.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.595 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -53.54 -49.38 67.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.529 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -56.47 -48.32 77.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -56.41 -49.15 75.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.949 179.756 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.6 mm -59.0 -43.14 88.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.594 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -62.36 -46.21 89.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.73 0.3 . . . . 0.0 110.407 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -47.87 70.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.906 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.9 mt -58.55 -48.87 84.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.58 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.619 ' HA ' HD12 ' A' ' 35' ' ' LEU . 21.2 mt-10 -54.33 -42.37 70.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.759 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -63.25 -49.49 73.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.162 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -53.22 -25.98 16.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.655 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 32' ' ' GLU . 3.4 mt -79.08 -39.18 34.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.698 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -59.36 -42.78 92.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.48 -30.75 67.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 58.96 39.48 23.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.976 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -99.98 127.73 46.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.439 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 1.2 m -54.3 -48.45 94.52 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.844 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.439 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 48.2 Cg_exo -56.28 -65.31 0.11 Allowed 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.154 1.903 . . . . 0.0 112.509 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -45.67 -30.85 1.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.43 ' HB2' ' O ' ' A' ' 40' ' ' THR . 2.0 m-85 -58.08 -38.29 76.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.811 0.339 . . . . 0.0 110.776 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.2 mtt -57.02 -25.65 58.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.509 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.23 -55.15 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.109 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 49' ' ' CYS . 0.7 OUTLIER -43.25 -47.15 6.44 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.621 178.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.404 HD13 HG12 ' A' ' 88' ' ' ILE . 34.4 mt -56.84 -50.16 76.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.096 0.474 . . . . 0.0 109.964 178.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -63.76 -18.55 64.17 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.024 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 46' ' ' SER . 73.8 m -81.97 -47.17 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.68 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -24.87 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-O 121.159 0.504 . . . . 0.0 110.1 178.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.417 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 5.6 mtt180 -77.84 -52.49 8.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.951 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.97 -33.19 70.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.872 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.414 ' HB3' ' HE1' ' A' ' 66' ' ' PHE . 4.7 t80 -72.69 -53.17 12.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.767 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -58.48 -31.12 67.54 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.759 0.314 . . . . 0.0 110.998 -179.65 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.19 -53.28 17.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.884 0.373 . . . . 0.0 110.606 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.54 -23.93 66.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.584 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.588 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.68 -58.29 2.66 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.714 0.292 . . . . 0.0 111.481 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.406 HD11 HD11 ' A' ' 97' ' ' ILE . 53.6 mt -55.34 -43.15 70.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.73 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.458 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 37.0 mttt -49.78 -53.68 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.482 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.458 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 21.6 p90 -178.59 90.39 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.197 0.522 . . . . 0.0 110.9 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.588 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -172.75 -99.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.302 179.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -131.32 64.67 1.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 0.0 111.248 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -53.18 -35.62 60.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.232 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.593 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 21.3 mt-30 -68.49 -22.17 64.56 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.965 0.412 . . . . 0.0 111.114 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' A' ' 65' ' ' ARG . 4.4 ttt180 -73.05 -19.96 61.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.149 0.5 . . . . 0.0 109.837 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 54' ' ' ARG . 1.2 t80 -87.41 -46.03 10.01 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.593 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.5 OUTLIER -65.5 -18.18 65.12 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 178.471 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -77.59 -58.12 3.44 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.638 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -62.95 -33.56 75.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.954 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.558 HD13 HD13 ' A' ' 96' ' ' LEU . 12.2 mt -65.19 -47.81 75.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.117 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -54.39 -44.67 72.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.467 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.06 -44.85 75.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.742 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 tp -51.47 -40.64 59.88 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.383 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.445 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.7 OUTLIER -65.09 -50.28 66.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.148 178.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.508 ' O ' HG12 ' A' ' 79' ' ' ILE . 5.4 mt-10 -62.4 -24.73 67.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.998 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -82.46 -52.33 6.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.925 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.459 HG23 ' HG ' ' A' ' 82' ' ' LEU . 10.9 p -54.13 -31.52 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.51 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' A' ' 80' ' ' LYS . 7.1 mt-10 -64.25 -42.62 96.4 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' ' 75' ' ' GLU . 28.8 mm -59.02 -6.45 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.652 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 76.66 114.72 0.06 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.052 179.787 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 176.85 -40.02 0.01 OUTLIER 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.794 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.459 ' HG ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -128.78 45.75 2.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.298 -179.661 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -59.33 -27.6 66.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.873 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.525 ' O ' HG22 ' A' ' 88' ' ' ILE . 1.3 p80 -79.28 -38.29 35.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.793 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.55 ' O ' HG22 ' A' ' 89' ' ' VAL . 25.0 t80 -61.25 -24.47 66.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.747 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.485 ' O ' ' HB ' ' A' ' 90' ' ' VAL . 56.9 t-105 -86.98 -48.46 8.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.341 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -59.61 -22.17 61.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.454 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.549 HG23 ' N ' ' A' ' 89' ' ' VAL . 2.1 tt -86.73 -57.69 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.009 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.572 ' HA ' HD12 ' A' ' 94' ' ' ILE . 30.3 m -56.95 -36.17 49.56 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-O 120.839 0.352 . . . . 0.0 111.323 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.557 HG12 ' N ' ' A' ' 91' ' ' GLN . 0.9 OUTLIER -68.69 -59.44 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.929 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.557 ' N ' HG12 ' A' ' 90' ' ' VAL . 19.1 mt-30 -52.77 -31.53 38.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.075 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.1 4.44 2.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.403 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.56 1.79 72.56 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.877 -0.678 . . . . 0.0 113.237 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.572 HD12 ' HA ' ' A' ' 89' ' ' VAL . 15.2 mt -67.49 134.39 30.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 117.091 0.446 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 t -129.11 159.82 34.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.013 0.435 . . . . 0.0 111.627 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.674 HD12 ' HG3' ' A' ' 111' ' ' GLU . 0.1 OUTLIER -58.5 176.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.589 -179.824 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.406 HD11 HD11 ' A' ' 58' ' ' ILE . 1.4 mp -72.45 121.59 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.14 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.44 ' HB ' ' HB2' ' A' ' 101' ' ' GLU . 0.1 OUTLIER -101.51 142.42 32.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.142 179.651 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.457 ' HB3' ' N ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -39.27 -85.18 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.65 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.527 ' C ' ' H ' ' A' ' 102' ' ' ALA . 19.2 tt0 -53.14 -20.41 3.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.032 -178.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.44 ' HB2' ' HB ' ' A' ' 98' ' ' THR . 2.9 tt0 -68.17 15.08 0.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.681 0.277 . . . . 0.0 111.213 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.527 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -121.95 -60.13 1.61 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.981 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.95 -40.23 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.642 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 171.82 43.77 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.641 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.69 129.53 53.71 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-O 121.261 0.553 . . . . 0.0 111.509 -179.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.3 p -65.84 140.74 58.41 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.443 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.457 ' N ' ' HB3' ' A' ' 99' ' ' LYS . 3.4 t -139.01 138.51 41.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.226 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.93 149.08 15.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.296 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.34 -12.69 57.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.132 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.462 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 2.0 mt-10 -84.29 -16.64 42.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.305 -179.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.674 ' HG3' HD12 ' A' ' 96' ' ' LEU . 8.8 tt0 -82.35 -48.36 11.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.968 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.419 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -88.24 -43.48 11.55 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -178.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -80.48 -47.57 14.1 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -177.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.462 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 0.2 OUTLIER -64.26 -34.05 77.22 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -178.296 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -68.29 -47.14 68.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.755 0.312 . . . . 0.0 111.201 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mp -110.3 61.77 0.6 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.097 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.965 179.834 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.422 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.6 t30 . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 120.408 0.147 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 4' ' ' ASN . 25.6 Cg_exo -63.07 -37.61 51.39 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.614 2.21 . . . . 0.0 112.257 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.51 -31.33 69.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.202 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 11' ' ' VAL . 17.0 mt-10 -72.74 -52.29 15.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.727 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -63.87 -25.35 68.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.575 ' O ' HG22 ' A' ' 13' ' ' VAL . 31.8 t80 -74.79 -54.75 6.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.73 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -55.33 -29.45 58.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.041 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 7' ' ' GLU . 58.9 t -85.26 -46.04 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.041 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 tp -53.8 -33.25 55.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.151 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 9' ' ' PHE . 5.8 m -79.53 -49.77 19.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.815 0.341 . . . . 0.0 110.644 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.407 ' N ' HG23 ' A' ' 13' ' ' VAL . 36.4 mttp -80.34 37.88 0.4 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.18 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.31 -48.86 8.65 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.358 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER 174.06 -38.74 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.566 0.222 . . . . 0.0 111.22 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 5.4 mmtp -129.86 -29.32 2.12 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.41 ' HB3' ' HA ' ' A' ' 13' ' ' VAL . . . -52.92 104.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.953 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 t -85.84 -67.22 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.492 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -179.34 44.85 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.014 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -121.28 -68.33 0.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 111.135 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -66.86 -43.37 83.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.47 -30.31 69.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.452 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.6 m -73.63 -58.03 3.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.809 0.338 . . . . 0.0 110.793 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -52.86 -42.74 65.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.84 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -62.05 -47.99 82.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.733 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.416 ' HA ' HD22 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -56.55 -47.27 79.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.75 179.716 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -33.79 66.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -65.7 -44.82 84.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.155 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -44.79 95.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.914 179.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.445 HD11 ' HB3' ' A' ' 49' ' ' CYS . 97.0 mt -57.49 -50.9 75.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.232 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -57.39 -47.87 80.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.934 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -53.72 -48.86 69.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.51 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -54.31 -44.1 71.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.817 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.45 -18.1 57.38 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.97 0.414 . . . . 0.0 110.988 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -77.63 -5.87 51.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.802 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 60.0 p -126.9 118.41 24.52 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.624 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -76.69 126.41 30.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.745 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 42' ' ' TYR . 8.6 mm-40 -162.31 165.11 27.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.68 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.576 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 11.6 m -82.18 -50.62 0.82 Allowed Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.576 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 65.3 Cg_endo -88.9 8.91 3.76 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.501 2.134 . . . . 0.0 113.693 -178.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.404 ' HB3' ' HB2' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -87.11 -35.06 18.89 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.214 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -64.64 -17.74 64.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.935 0.397 . . . . 0.0 110.717 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -77.13 -27.29 53.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.389 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -32.4 60.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.659 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.05 -52.34 43.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.244 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.9 mt -59.38 -40.25 81.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.509 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -62.27 -26.21 68.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.002 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.445 ' HB3' HD11 ' A' ' 31' ' ' ILE . 5.7 m -83.41 -47.77 11.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.323 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.493 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 6.3 tt -63.62 -20.77 27.05 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.084 0 CA-C-O 120.961 0.41 . . . . 0.0 110.614 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -78.65 -53.87 6.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.104 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.89 -31.98 72.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.905 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -72.77 -54.92 7.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -53.89 -39.83 66.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.262 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -64.47 -50.87 65.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.813 0.339 . . . . 0.0 111.256 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.92 -24.05 67.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.34 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.58 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -86.25 -57.79 2.88 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.767 0.318 . . . . 0.0 110.857 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.692 HG22 HG13 ' A' ' 97' ' ' ILE . 1.9 pp -53.89 -40.19 43.43 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.204 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.197 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -49.97 -54.19 21.51 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.516 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -177.28 80.16 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.348 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.58 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 7.6 t -160.79 -99.41 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.759 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -132.67 65.39 1.59 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.009 0.433 . . . . 0.0 111.379 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -52.44 -35.74 52.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.493 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.608 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 48.6 mt-30 -70.53 -18.38 62.94 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.737 0.303 . . . . 0.0 111.109 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -79.21 -20.52 48.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.11 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.51 -47.06 9.04 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.844 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.608 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -66.98 -18.79 65.55 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 178.322 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -69.98 -57.7 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.205 -1.361 . . . . 0.0 108.844 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -70.88 -25.41 62.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.873 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.583 HD13 ' CD1' ' A' ' 96' ' ' LEU . 9.7 mt -67.93 -48.0 67.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.633 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -58.0 -35.5 71.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.875 0.369 . . . . 0.0 110.741 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.45 -42.29 30.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.095 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.738 ' O ' HG13 ' A' ' 77' ' ' VAL . 11.4 tp -62.93 -45.96 90.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.694 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -53.67 55.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.158 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.15 -33.08 74.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.345 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -69.61 -57.35 5.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.329 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.738 HG13 ' O ' ' A' ' 73' ' ' LEU . 1.4 m -66.73 -28.14 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.162 -179.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -57.77 -52.57 64.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.94 0.4 . . . . 0.0 109.992 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.1 mm -61.21 -82.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.779 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -152.52 105.13 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.783 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.421 ' HB2' ' HA ' ' A' ' 77' ' ' VAL . 1.7 mt-30 -173.66 -75.97 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.488 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.15 69.67 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.918 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -67.16 -18.56 65.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.631 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -66.17 -39.81 90.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.628 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -60.13 -28.66 68.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.746 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 -78.38 -47.17 18.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.776 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -62.76 -22.27 66.45 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.202 0.525 . . . . 0.0 110.053 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 62.6 mt -85.49 -59.92 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.838 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.422 ' HA ' HD12 ' A' ' 94' ' ' ILE . 11.7 t -47.48 -33.82 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.497 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 91' ' ' GLN . 14.1 p -76.84 -49.21 24.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.769 0.319 . . . . 0.0 110.707 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.501 ' N ' HG13 ' A' ' 90' ' ' VAL . 20.2 tt0 -56.39 -39.37 72.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.994 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.12 -2.26 4.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.454 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.08 46.53 21.71 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.747 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 89' ' ' VAL . 53.6 mt -105.62 131.16 55.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.938 0.399 . . . . 0.0 110.883 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.754 ' HA ' HD11 ' A' ' 116' ' ' LEU . 16.6 p -99.71 -166.79 1.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.709 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.583 ' CD1' HD13 ' A' ' 70' ' ' LEU . 1.1 tp -101.95 -135.5 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.072 -179.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.692 HG13 HG22 ' A' ' 58' ' ' ILE . 1.3 mp -117.27 115.22 48.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 120.942 0.401 . . . . 0.0 111.658 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.472 ' HA ' ' HB ' ' A' ' 107' ' ' VAL . 0.2 OUTLIER -103.24 132.91 49.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.983 178.562 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.535 ' CG ' HG23 ' A' ' 107' ' ' VAL . 33.5 mtpt -54.85 -33.33 61.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.699 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -59.0 -25.06 63.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.892 0.377 . . . . 0.0 110.691 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -75.21 -21.39 58.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.326 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 58' ' ' ILE . . . -137.24 -69.36 0.46 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.899 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.468 ' HB2' ' HG2' ' A' ' 99' ' ' LYS . 0.6 OUTLIER -52.64 -90.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.616 -179.398 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.91 -58.18 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.368 -0.92 . . . . 0.0 113.156 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.7 p -66.0 -154.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.827 0.346 . . . . 0.0 111.549 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 107' ' ' VAL . 18.7 t -124.06 89.74 3.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.055 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.535 HG23 ' CG ' ' A' ' 99' ' ' LYS . 1.2 t -24.99 133.11 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.211 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.449 ' HB ' ' HG2' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -47.98 151.35 0.96 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.577 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.662 ' HB1' ' HB2' ' A' ' 113' ' ' LYS . . . -60.87 -31.72 71.17 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.315 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.449 ' HG2' ' HB ' ' A' ' 108' ' ' THR . 0.7 OUTLIER -50.14 -26.18 4.27 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.807 179.801 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.568 ' HG3' HD23 ' A' ' 96' ' ' LEU . 1.4 tt0 -89.8 -59.04 2.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.038 0.447 . . . . 0.0 111.16 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -80.1 -34.26 38.06 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.662 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 29.7 mttt -88.58 -42.89 11.77 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -177.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -66.73 -31.62 72.39 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -178.193 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -75.14 -47.34 28.99 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.754 HD11 ' HA ' ' A' ' 95' ' ' THR . 1.5 mp -79.94 -31.68 40.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.647 0.26 . . . . 0.0 111.395 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.15 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.425 0.155 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -61.0 -34.89 90.0 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.499 2.133 . . . . 0.0 112.256 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.79 -18.37 61.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.045 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -85.09 -56.47 3.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.031 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -63.08 -30.83 71.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.607 ' O ' HG22 ' A' ' 13' ' ' VAL . 11.7 t80 -70.93 -53.72 13.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -54.47 -40.08 68.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.498 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.1 p -77.42 -42.03 30.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.667 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.01 -39.82 72.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.382 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 9' ' ' PHE . 17.2 m -83.03 -6.71 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.266 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -112.73 43.04 1.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -109.34 -47.61 3.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.85 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.544 ' HG3' ' H ' ' A' ' 17' ' ' LYS . 2.5 pttt -178.92 -55.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.771 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.544 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 4.0 mttt -173.62 74.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.833 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.3 -3.5 53.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 m 72.35 122.89 0.04 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.852 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -60.92 -31.47 70.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.245 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -53.0 -55.91 20.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.891 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -55.97 -50.28 71.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.621 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.587 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -62.82 -36.38 82.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.064 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.6 t -63.3 -53.05 58.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.672 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -55.95 -43.89 77.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.87 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.05 -49.23 78.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.073 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -45.82 85.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.3 -32.84 59.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.89 0.376 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -67.53 -45.64 75.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.324 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -61.62 -44.39 97.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.188 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 89.8 mt -58.7 -49.61 82.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.591 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -55.49 -42.88 75.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.679 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -61.61 -47.1 86.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.56 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -56.38 -37.31 69.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.57 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.8 mt -61.46 -45.24 95.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.764 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.02 -0.75 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.425 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.05 119.18 32.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.08 0.466 . . . . 0.0 110.559 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -82.16 107.31 14.76 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.699 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -162.87 131.9 4.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.509 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.46 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 1.5 m -64.12 -50.07 70.54 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.738 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.46 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 16.8 Cg_exo -67.62 -12.59 36.11 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.345 2.03 . . . . 0.0 112.412 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -86.19 -41.97 14.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.131 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.15 -31.08 70.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.919 0.39 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -31.98 73.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.114 0.483 . . . . 0.0 110.077 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -71.43 -31.44 67.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.687 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.49 -50.12 60.38 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.2 mt -57.88 -43.72 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.818 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.44 -28.9 67.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.031 179.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 36.3 m -77.6 -43.83 30.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.034 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.86 -31.95 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.748 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -72.07 -35.17 69.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.022 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.71 -36.19 57.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.452 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -75.8 -51.17 13.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.791 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.448 ' NH1' HG22 ' A' ' 94' ' ' ILE . 21.0 mtp-105 -48.07 -45.56 32.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.379 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -70.03 -44.57 68.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.683 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.84 -34.99 79.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.589 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.61 -53.5 4.92 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.806 0.298 . . . . 0.0 111.806 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.429 ' HA ' ' HB3' ' A' ' 63' ' ' GLU . 71.5 mt -53.85 -46.42 63.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.006 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.48 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 33.4 mttm -49.56 -50.29 42.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.665 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.48 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 23.6 p90 -175.79 99.76 0.07 Allowed 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.103 0.478 . . . . 0.0 111.086 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.589 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.6 OUTLIER 179.2 -93.44 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.23 179.707 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.409 ' HB3' ' HB2' ' A' ' 65' ' ' ARG . 33.6 mt-10 -138.55 59.95 1.62 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.868 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.429 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 0.9 OUTLIER -53.51 -37.34 62.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.645 179.754 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.603 ' HA ' HD21 ' A' ' 67' ' ' ASN . 16.8 tt0 -69.04 -10.2 56.35 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.594 0.235 . . . . 0.0 111.607 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.409 ' HB2' ' HB3' ' A' ' 62' ' ' GLU . 11.9 ttt180 -82.26 -59.02 2.69 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.556 178.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.14 -47.88 34.46 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.704 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.603 HD21 ' HA ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -62.0 -54.97 34.2 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.755 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -41.59 -51.77 3.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.443 178.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -71.94 -31.55 66.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.749 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.836 HD13 HD13 ' A' ' 96' ' ' LEU . 1.1 mt -59.19 -40.92 87.22 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.147 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -62.91 -33.13 74.68 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.503 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.88 -41.11 60.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.433 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.5 tp -57.5 -40.92 79.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.774 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.421 ' HA ' HG12 ' A' ' 77' ' ' VAL . 4.5 tm0? -60.6 -48.9 79.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.173 178.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -64.09 -24.41 67.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.959 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.75 ' HA ' HD12 ' A' ' 79' ' ' ILE . 30.3 mttp -81.18 -51.6 8.25 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.161 0.505 . . . . 0.0 110.173 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 74' ' ' GLN . 9.5 p -60.89 -26.5 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.583 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' A' ' 80' ' ' LYS . 4.6 mt-10 -59.64 -49.22 78.6 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.23 178.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.75 HD12 ' HA ' ' A' ' 76' ' ' LYS . 2.8 mt -60.4 3.19 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.398 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' A' ' 78' ' ' GLU . 1.5 ptpt 79.69 108.32 0.07 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.75 0.786 . . . . 0.0 111.305 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.617 ' HB3' HD23 ' A' ' 82' ' ' LEU . 2.7 mt-30 -166.11 -54.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.663 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.617 HD23 ' HB3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -124.97 55.39 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.508 -179.34 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -63.29 -36.76 84.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.064 0.459 . . . . 0.0 110.37 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -67.54 -44.37 78.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.619 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.519 ' O ' HG23 ' A' ' 89' ' ' VAL . 7.1 t80 -52.13 -47.5 65.33 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.961 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 24.8 t-105 -57.77 -43.24 85.38 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.417 ' O ' HG12 ' A' ' 90' ' ' VAL . 1.7 mm-40 -65.29 -41.19 94.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.053 0.454 . . . . 0.0 110.146 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 7.1 mt -73.75 -19.66 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.376 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 85' ' ' PHE . 4.0 t -78.25 -41.23 26.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.265 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' ' 87' ' ' GLU . 9.5 p -73.96 -29.72 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.062 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -75.18 -50.86 14.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.689 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -57.49 -18.65 19.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.654 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.41 -24.48 31.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.279 -0.963 . . . . 0.0 113.976 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 89' ' ' VAL . 1.1 pt -46.7 112.48 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 117.563 0.681 . . . . 0.0 110.837 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.494 ' HA ' HD11 ' A' ' 116' ' ' LEU . 43.8 p -93.52 -167.21 1.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.974 -178.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.836 HD13 HD13 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -88.83 -163.02 0.92 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.686 -179.103 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.551 HG21 ' ND2' ' A' ' 67' ' ' ASN . 1.2 mp -108.76 109.97 30.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.021 0.438 . . . . 0.0 111.255 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.13 137.02 43.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.767 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.748 ' H ' ' HB ' ' A' ' 107' ' ' VAL . 4.1 mtmt -54.08 -31.13 50.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 0.0 110.77 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -72.25 -30.28 64.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.45 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -67.03 -8.88 33.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.052 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -147.14 -127.58 0.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.523 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 97.3 p -89.51 153.95 20.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.741 0.305 . . . . 0.0 110.846 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 105.29 -142.84 15.58 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.705 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.529 ' H ' ' HD2' ' A' ' 99' ' ' LYS . 29.7 m -119.98 -116.52 0.32 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.7 t -123.94 88.51 2.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.745 0.307 . . . . 0.0 110.231 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.748 ' HB ' ' H ' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -45.13 150.13 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.877 -179.851 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.7 t -47.88 150.88 1.01 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.551 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.697 ' HB1' ' HB2' ' A' ' 113' ' ' LYS . . . -69.99 -27.07 64.4 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.102 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.406 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 22.8 mt-10 -44.42 -21.86 0.06 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.551 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 1.9 tt0 -88.95 -59.86 2.11 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.951 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.439 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -78.55 -33.0 48.12 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -178.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.697 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 11.8 tttm -87.64 -42.62 12.55 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -178.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.406 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -70.17 -33.34 71.64 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -178.439 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.407 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . 18.1 m-85 -79.26 -47.14 16.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.737 0.303 . . . . 0.0 111.329 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.494 HD11 ' HA ' ' A' ' 95' ' ' THR . 0.4 OUTLIER -87.37 57.09 4.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.88 0.372 . . . . 0.0 110.842 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.04 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.53 0.176 0 CA-C-O 120.407 0.146 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.03 -33.51 26.67 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.505 2.137 . . . . 0.0 112.668 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.45 -39.14 77.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.168 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.516 ' O ' HG23 ' A' ' 11' ' ' VAL . 5.9 tt0 -71.75 -46.14 59.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.056 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -62.54 -34.27 76.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.645 ' HD1' ' HB1' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -70.04 -47.85 60.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.803 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 15.2 mtp-105 -61.24 -37.41 83.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 7' ' ' GLU . 96.8 t -71.81 -44.97 67.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.266 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.58 -28.85 67.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.439 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 9' ' ' PHE . 35.9 m -95.51 -5.6 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.695 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -100.62 -53.93 2.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.477 -179.83 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -63.48 -11.71 25.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.27 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -175.94 132.26 0.25 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -81.46 87.9 6.18 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.569 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.35 30.04 1.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m 65.08 140.4 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.303 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -79.51 63.12 4.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.425 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -129.42 -63.38 0.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.99 -44.51 89.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.645 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -61.77 -40.11 94.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.328 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.632 ' O ' HD12 ' A' ' 28' ' ' ILE . 84.1 p -70.09 -54.8 11.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.838 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -51.46 -49.58 61.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.51 -45.92 87.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.566 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.36 -49.9 73.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.789 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 24' ' ' SER . 1.5 mp -58.54 -42.38 84.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.11 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -60.56 -45.44 93.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.882 0.372 . . . . 0.0 110.257 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -57.01 -47.25 81.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.845 179.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.1 mt -56.48 -49.48 77.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.196 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.446 ' HA ' HD12 ' A' ' 35' ' ' LEU . 26.1 mt-10 -54.14 -45.34 71.96 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.661 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -59.38 -46.04 89.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.255 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -55.21 -32.0 61.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.928 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 32' ' ' GLU . 6.0 mt -72.44 -18.4 61.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.218 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -66.76 -8.98 32.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.789 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.34 110.64 14.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.558 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -78.45 64.91 3.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.087 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.413 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 5.6 mm-40 -113.77 147.4 38.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.796 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.5 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 5.5 m -60.52 -50.19 86.64 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.721 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 40' ' ' THR . 66.3 Cg_endo -73.45 -9.12 22.64 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.193 1.929 . . . . 0.0 112.619 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -85.0 -31.78 23.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.136 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -76.58 -19.59 57.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.938 0.399 . . . . 0.0 110.624 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 63.2 mtt -69.77 -30.79 68.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.354 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.87 -27.07 43.99 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.395 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.69 -52.16 53.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.975 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.496 HD11 HG21 ' A' ' 88' ' ' ILE . 6.7 mt -60.97 -38.67 79.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.164 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -24.6 66.85 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.745 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -85.92 -47.26 9.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.184 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.418 HG22 ' HA ' ' A' ' 47' ' ' ILE . 6.9 tt -64.31 -20.37 26.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 121.004 0.43 . . . . 0.0 110.477 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -78.54 -54.33 6.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.989 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.29 -31.08 69.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.661 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -77.3 -58.23 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.983 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.466 HH21 HG23 ' A' ' 94' ' ' ILE . 4.8 tmm_? -55.03 -28.73 54.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -75.18 -60.38 2.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.388 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.04 -21.27 66.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.87 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.582 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.8 -62.27 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 0.0 111.717 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.701 HD13 ' HA ' ' A' ' 63' ' ' GLU . 50.6 mm -57.02 -37.94 57.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.557 -179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.415 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 11.6 mttt -55.91 -44.41 78.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.415 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 2.8 p90 -176.3 89.11 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 121.171 0.51 . . . . 0.0 111.251 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.582 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -175.18 -98.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.312 179.625 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -129.65 66.2 1.47 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.937 0.399 . . . . 0.0 110.822 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.701 ' HA ' HD13 ' A' ' 58' ' ' ILE . 8.1 pt-20 -51.1 -36.77 42.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.711 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.573 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 56.6 mt-30 -69.28 -23.41 63.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.84 0.352 . . . . 0.0 111.278 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 65' ' ' ARG . 8.6 ttt180 -71.49 -23.7 61.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.232 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.414 ' HZ ' HG12 ' A' ' 50' ' ' ILE . 19.1 t80 -87.57 -46.05 9.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.732 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.573 ' ND2' ' HA ' ' A' ' 64' ' ' GLN . 4.6 p30 -67.22 -18.7 65.35 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -75.51 -57.53 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.252 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -63.54 -32.25 73.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.576 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.107 HD13 HD13 ' A' ' 96' ' ' LEU . 5.4 mt -62.07 -50.82 70.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.303 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -57.31 -47.84 80.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.322 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.99 -48.82 64.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.819 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 27.6 tp -52.88 -53.26 51.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.331 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.508 ' O ' HG13 ' A' ' 77' ' ' VAL . 10.2 tm0? -52.39 -50.37 62.57 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.51 ' O ' HG12 ' A' ' 79' ' ' ILE . 13.0 mt-10 -60.51 -32.52 71.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.247 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -70.02 -44.51 69.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.233 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.529 HG23 ' HA ' ' A' ' 83' ' ' ASN . 0.7 OUTLIER -60.96 -30.37 47.42 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 C-N-CA 120.548 -0.461 . . . . 0.0 109.803 179.72 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.427 ' C ' ' H ' ' A' ' 80' ' ' LYS . 14.1 mt-10 -66.34 -33.98 76.95 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.51 HG12 ' O ' ' A' ' 75' ' ' GLU . 19.0 mm -65.76 -0.05 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.291 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.427 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 74.77 111.32 0.07 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.429 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.533 ' HB3' HD23 ' A' ' 82' ' ' LEU . 0.9 OUTLIER 172.12 -36.31 0.0 OUTLIER 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.175 -179.667 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -147.14 43.79 1.14 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.052 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.529 ' HA ' HG23 ' A' ' 77' ' ' VAL . 3.7 t-20 -64.12 -14.53 55.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.061 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.54 -34.4 35.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.334 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.432 ' O ' HG23 ' A' ' 89' ' ' VAL . 14.0 t80 -62.9 -30.19 71.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.59 0.233 . . . . 0.0 110.98 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.606 ' HH2' HD21 ' A' ' 96' ' ' LEU . 35.8 t-105 -76.1 -48.33 21.13 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.743 0.306 . . . . 0.0 110.419 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -61.35 -19.71 62.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.088 0.47 . . . . 0.0 109.803 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.496 HG21 HD11 ' A' ' 47' ' ' ILE . 52.5 mt -85.1 -57.82 4.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.595 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.568 HG13 HD12 ' A' ' 94' ' ' ILE . 24.3 t -47.2 -33.39 2.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.392 178.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.2 p -87.23 -39.91 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.846 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.489 ' HB2' ' HA ' ' A' ' 88' ' ' ILE . 2.0 mt-30 -46.46 -30.4 2.16 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.329 178.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.74 -44.97 9.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.208 0.528 . . . . 0.0 109.626 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 120.83 34.19 0.93 Allowed Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.429 -0.805 . . . . 0.0 113.367 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.568 HD12 HG13 ' A' ' 89' ' ' VAL . 14.8 mt -78.43 144.09 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.0 p -95.01 -167.28 1.6 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.247 0.546 . . . . 0.0 112.26 -178.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 1.107 HD13 HD13 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -115.68 11.79 15.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.109 -179.332 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.645 ' HB ' ' O ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER 83.3 126.63 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 O-C-N 124.148 0.905 . . . . 0.0 109.934 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.24 157.35 27.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.094 0.473 . . . . 0.0 112.115 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.484 ' N ' ' HB ' ' A' ' 107' ' ' VAL . 10.9 ttmt -34.79 -84.28 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.609 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.557 ' C ' ' H ' ' A' ' 102' ' ' ALA . 33.4 tt0 -59.5 -15.13 15.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.918 -178.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -69.85 21.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 0.0 110.901 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.557 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -136.88 -59.46 0.71 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.761 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.2 -35.88 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.709 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 160.77 46.14 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.241 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.822 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.467 ' O ' ' HA ' ' A' ' 99' ' ' LYS . 69.8 m -121.24 127.55 51.53 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.992 0.425 . . . . 0.0 111.397 -179.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.461 ' HA ' ' HG3' ' A' ' 99' ' ' LYS . 50.3 m -55.87 134.03 51.7 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.04 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.484 ' HB ' ' N ' ' A' ' 99' ' ' LYS . 40.7 t -135.5 117.54 21.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.0 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.47 HG23 ' H ' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -47.91 150.1 1.2 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.667 -178.681 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.26 -12.5 59.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.285 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.47 ' H ' HG23 ' A' ' 108' ' ' THR . 27.6 mt-10 -78.49 -16.6 57.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.204 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.456 ' H ' HG23 ' A' ' 108' ' ' THR . 4.1 tt0 -81.53 -48.78 11.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.315 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.543 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.06 -33.58 19.46 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -178.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -85.2 -48.8 8.77 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.11 -40.59 96.4 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.474 ' CD2' HD11 ' A' ' 96' ' ' LEU . 17.2 m-85 -69.27 -48.03 62.88 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 70.3 mt -81.04 145.79 30.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.953 0.406 . . . . 0.0 111.165 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.686 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.4 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.7 t30 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.408 0.147 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 4' ' ' ASN . 44.5 Cg_exo -57.07 -39.15 93.23 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.559 2.173 . . . . 0.0 112.386 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.92 -30.1 66.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.194 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.46 ' O ' HG22 ' A' ' 11' ' ' VAL . 36.2 mt-10 -73.22 -52.35 14.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -57.06 -29.85 63.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 179.864 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.521 ' HB2' HD23 ' A' ' 27' ' ' LEU . 62.7 t80 -78.57 -46.82 18.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.575 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -57.88 -34.78 70.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 7' ' ' GLU . 18.4 m -79.83 -43.28 22.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.112 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 8' ' ' ASN . 0.1 OUTLIER -58.53 -33.07 69.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.956 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.473 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 30.8 m -87.98 -1.86 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.121 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -129.72 38.37 3.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.634 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.445 ' H ' ' HG3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -116.26 -47.75 2.74 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.668 0.271 . . . . 0.0 111.265 179.608 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.3 -39.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.886 0.374 . . . . 0.0 110.178 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.561 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 10.5 mttt -132.48 -156.2 0.73 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.286 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 17' ' ' LYS . . . 84.18 -54.0 0.13 Allowed 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.54 0.525 . . . . 0.0 110.481 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.1 m 49.26 -81.43 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.277 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.511 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -167.97 30.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.37 -179.052 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -114.38 -77.89 0.58 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.767 0.318 . . . . 0.0 111.083 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -64.38 -41.72 96.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.467 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . . . -68.44 -29.28 67.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.096 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.0 m -70.59 -57.02 5.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.483 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.428 ' O ' HG22 ' A' ' 28' ' ' ILE . 34.0 m-80 -54.15 -43.01 70.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.44 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -59.5 -47.09 86.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.359 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.521 HD23 ' HB2' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -57.25 -47.94 80.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.698 179.47 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.428 HG22 ' O ' ' A' ' 25' ' ' ASN . 0.9 OUTLIER -61.9 -35.45 68.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.899 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -64.69 -45.08 88.15 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.902 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -44.37 90.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.623 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 98.5 mt -57.15 -50.28 77.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.017 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -54.26 -44.62 71.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.638 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -59.15 -46.09 89.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.292 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -55.83 -31.53 62.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.884 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.8 mt -74.55 -18.21 60.62 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.054 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -66.29 -6.48 14.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.757 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.76 113.39 16.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.558 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -78.61 62.61 3.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.284 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.541 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 6.6 mm-40 -119.34 143.76 47.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.718 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.532 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 3.5 m -58.77 -49.79 91.5 Favored Pre-proline 0 CA--C 1.533 0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.71 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.541 ' HD2' ' HB3' ' A' ' 39' ' ' GLU . 25.9 Cg_exo -63.03 -15.01 45.16 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.185 1.923 . . . . 0.0 112.274 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -86.37 -35.62 19.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.003 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -68.32 -26.03 65.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.746 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 60.4 mtt -67.53 -33.17 74.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.427 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -29.5 61.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.674 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -52.0 44.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.183 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.2 mt -58.68 -41.55 82.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.173 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -25.05 67.34 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.185 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.9 m -82.41 -41.25 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.317 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.433 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 1.6 tt -70.71 -25.56 26.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.683 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -79.29 -29.98 42.73 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.83 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.43 -34.55 31.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.139 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -77.46 -50.26 13.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.727 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 2.1 tmt_? -52.27 -45.21 65.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.302 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -64.13 -53.72 45.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.543 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -64.2 -22.01 66.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.5 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.555 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.12 -59.24 2.35 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.196 -179.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.0 pp -56.81 -40.07 68.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.754 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.45 ' HB3' ' CD1' ' A' ' 60' ' ' PHE . 59.5 mttt -51.95 -55.01 22.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.625 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 59' ' ' LYS . 21.8 p90 -178.84 86.21 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 121.247 0.546 . . . . 0.0 110.836 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.555 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -167.73 -100.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.199 179.743 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -130.9 64.17 1.58 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.964 0.412 . . . . 0.0 110.941 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.437 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 0.5 OUTLIER -53.92 -37.04 63.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.291 179.646 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.608 ' HA ' HD21 ' A' ' 67' ' ' ASN . 1.7 tt0 -63.68 -24.24 67.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.866 0.365 . . . . 0.0 111.049 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 65' ' ' ARG . 1.3 ttt180 -73.0 -20.8 60.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.967 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.26 -48.26 7.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.542 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.836 HD22 HG21 ' A' ' 97' ' ' ILE . 0.8 OUTLIER -63.11 -18.3 63.27 Favored 'General case' 0 CA--C 1.521 -0.155 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.563 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -77.88 -57.41 3.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.594 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -66.1 -29.06 69.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.283 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.719 HD13 HD13 ' A' ' 96' ' ' LEU . 7.0 mt -67.41 -51.78 47.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.867 0.365 . . . . 0.0 110.567 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -56.26 -43.86 79.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.989 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.4 -45.5 65.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.76 ' O ' HG13 ' A' ' 77' ' ' VAL . 28.3 tp -55.87 -52.72 63.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.901 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -54.69 32.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.488 ' O ' HD12 ' A' ' 79' ' ' ILE . 12.1 mt-10 -58.8 -43.39 90.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.227 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -61.62 -58.42 8.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.337 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.76 HG13 ' O ' ' A' ' 73' ' ' LEU . 1.1 m -64.11 -17.93 21.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.851 0.358 . . . . 0.0 110.916 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.38 -56.65 4.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.219 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.488 HD12 ' O ' ' A' ' 75' ' ' GLU . 2.6 mt -75.62 52.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.003 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.41 111.46 0.06 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.376 0.608 . . . . 0.0 111.686 178.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.436 ' HB2' ' HA ' ' A' ' 77' ' ' VAL . 0.1 OUTLIER 174.59 -83.54 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.052 179.333 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.77 72.37 1.33 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.846 0.355 . . . . 0.0 111.311 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -71.06 -14.83 62.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.111 0.481 . . . . 0.0 110.316 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -65.9 -44.79 84.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.054 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -55.63 -30.49 61.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.813 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -80.39 -42.13 23.37 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.707 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 25.1 mt-10 -61.99 -24.84 67.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.209 0.528 . . . . 0.0 109.726 179.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.4 mt -85.53 -57.74 4.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.707 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.622 HG13 ' HB ' ' A' ' 94' ' ' ILE . 3.5 t -46.77 -33.03 1.97 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.35 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.0 p -88.09 -38.87 12.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.73 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 29.6 tt0 -47.02 -30.69 2.79 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.151 178.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.74 -45.29 9.41 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 123.53 16.5 3.41 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.265 -0.88 . . . . 0.0 113.203 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.622 ' HB ' HG13 ' A' ' 89' ' ' VAL . 26.4 mt -54.09 137.68 14.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.843 0.321 . . . . 0.0 110.179 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.518 ' HA ' HD11 ' A' ' 116' ' ' LEU . 31.0 p -99.89 -167.59 1.48 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.224 0.535 . . . . 0.0 112.067 -178.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.719 HD13 HD13 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -116.17 -176.26 2.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.777 -179.484 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.836 HG21 HD22 ' A' ' 67' ' ' ASN . 1.7 mp -78.39 112.01 15.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 178.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.456 ' HA ' HG12 ' A' ' 107' ' ' VAL . 0.2 OUTLIER -120.54 159.66 24.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.806 0.336 . . . . 0.0 111.748 -179.375 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -36.11 -76.96 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.619 179.478 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -63.99 -20.53 65.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.532 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -76.08 -9.43 58.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.773 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -154.3 133.8 12.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.955 0.407 . . . . 0.0 111.73 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.412 ' HB3' ' H ' ' A' ' 104' ' ' GLY . 18.0 m 53.24 -164.15 0.09 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.432 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.412 ' H ' ' HB3' ' A' ' 103' ' ' SER . . . -76.66 72.85 1.95 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.213 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 99' ' ' LYS . 5.5 t 46.79 61.41 2.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.639 0.257 . . . . 0.0 111.394 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.462 ' O ' HG23 ' A' ' 107' ' ' VAL . 0.2 OUTLIER -126.94 97.09 4.84 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.539 HG11 ' O ' ' A' ' 97' ' ' ILE . 1.0 OUTLIER 151.12 121.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.939 0.895 . . . . 0.0 110.21 178.584 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.3 t -58.85 150.51 23.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.322 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.43 ' HA ' HG23 ' A' ' 98' ' ' THR . . . -78.73 -22.95 45.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.386 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 5.1 mt-10 -42.17 -25.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.634 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -83.49 -48.55 10.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.208 0.527 . . . . 0.0 110.586 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.567 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -71.37 -21.78 61.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.873 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -88.28 -49.36 7.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.978 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -68.2 -29.04 67.8 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.488 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.546 ' CD2' HD11 ' A' ' 96' ' ' LEU . 6.5 m-85 -72.97 -47.2 47.46 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.518 HD11 ' HA ' ' A' ' 95' ' ' THR . 2.7 mt -76.18 -30.42 58.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.237 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.063 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.409 0.147 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.55 -35.55 81.06 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.452 2.101 . . . . 0.0 112.215 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.67 -23.66 65.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.551 ' O ' HG23 ' A' ' 11' ' ' VAL . 40.7 mt-10 -85.36 -43.43 13.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -59.47 -50.87 72.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.668 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.546 ' HD1' ' HB1' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -56.48 -47.0 80.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.737 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.419 ' HA ' HG22 ' A' ' 13' ' ' VAL . 71.0 mtt180 -63.92 -29.26 70.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.088 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 7' ' ' GLU . 28.7 t -74.34 -42.96 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.439 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.752 HD12 HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -72.27 -26.81 62.13 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.322 -179.523 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.752 HG13 HD12 ' A' ' 12' ' ' LEU . 19.0 m -94.74 -3.19 10.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.779 0.323 . . . . 0.0 111.051 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -63.16 -10.82 16.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.761 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.593 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -116.28 -50.16 2.66 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.246 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.593 ' HB3' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER 131.67 6.46 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.565 1.146 . . . . 0.0 109.407 179.59 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -68.02 -35.74 78.79 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.718 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 19' ' ' SER . . . -93.51 -11.7 31.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.502 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.453 ' O ' ' O ' ' A' ' 18' ' ' ALA . 5.2 t 52.08 153.48 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.348 0.594 . . . . 0.0 112.468 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -80.56 48.06 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.655 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -131.06 -66.72 0.73 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.82 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -69.68 -40.99 76.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.673 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.546 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -67.13 -33.03 74.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.99 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 p -73.95 -56.72 4.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.714 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.4 ' O ' HG22 ' A' ' 28' ' ' ILE . 15.4 m-80 -52.62 -44.8 66.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.905 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -62.04 -43.98 97.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.609 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -57.96 -46.45 85.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.706 179.556 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.4 HG22 ' O ' ' A' ' 25' ' ' ASN . 1.1 tp -65.15 -34.32 69.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.811 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -45.16 85.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.939 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -58.81 -44.43 90.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.834 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.0 mt -58.73 -50.03 80.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.201 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.605 ' HA ' HD12 ' A' ' 35' ' ' LEU . 31.5 mt-10 -54.05 -45.39 71.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.74 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -58.95 -46.04 89.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.297 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -55.47 -32.38 62.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.733 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.605 HD12 ' HA ' ' A' ' 32' ' ' GLU . 4.0 mt -79.85 -18.76 49.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.834 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -79.63 -1.34 37.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.18 123.1 31.21 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.684 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -72.43 114.93 11.08 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.677 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -164.28 155.06 15.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.798 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.509 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 5.7 m -81.07 -49.53 1.02 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.691 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.509 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 7.4 Cg_exo -73.19 -1.06 10.01 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.495 2.13 . . . . 0.0 112.437 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -86.24 -47.57 9.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.164 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -61.65 -34.48 75.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.903 0.382 . . . . 0.0 110.703 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 61.9 mtt -65.32 -32.6 74.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.313 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -77.3 -28.04 53.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.439 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.69 -51.09 60.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.14 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.528 HD11 HG21 ' A' ' 88' ' ' ILE . 4.0 mt -60.24 -41.13 85.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.267 178.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.54 -21.86 65.87 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.857 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.1 m -86.44 -46.66 10.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.166 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.5 tt -64.27 -21.19 28.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 121.049 0.452 . . . . 0.0 110.284 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.25 -54.46 6.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.096 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.13 71.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.575 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.447 ' HB3' ' HZ ' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -72.73 -55.08 7.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.01 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -56.45 -41.81 77.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.196 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 14.4 mt-10 -61.44 -57.49 11.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.482 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.46 -27.8 67.33 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.623 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -87.28 -62.19 1.56 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.507 HD13 ' HA ' ' A' ' 63' ' ' GLU . 37.0 mm -54.09 -38.0 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.896 -178.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.409 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 35.4 mttt -58.51 -42.83 88.55 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.13 -0.228 . . . . 0.0 110.988 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.409 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 19.5 p90 -172.7 78.0 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.929 0.395 . . . . 0.0 111.822 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.623 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -176.8 -106.52 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.577 179.42 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.682 ' HB3' ' HB3' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -103.42 82.87 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.404 . . . . 0.0 111.372 -178.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.507 ' HA ' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -81.12 -49.48 10.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.613 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.579 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 75.1 mt-30 -69.97 -21.1 63.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.794 0.331 . . . . 0.0 111.518 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.682 ' HB3' ' HB3' ' A' ' 62' ' ' GLU . 2.4 ttt180 -74.22 -19.38 60.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.118 0.485 . . . . 0.0 109.949 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.47 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -87.16 -45.91 10.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.221 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.579 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.8 OUTLIER -68.69 -18.58 64.28 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.709 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -75.59 -58.32 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.573 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -64.93 -29.7 70.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.857 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.815 HD13 HD13 ' A' ' 96' ' ' LEU . 5.2 mt -67.84 -47.35 69.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.567 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -56.08 -42.38 76.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.78 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.39 -44.63 58.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.001 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.645 ' O ' HG12 ' A' ' 77' ' ' VAL . 35.8 tp -56.09 -49.36 74.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.635 ' O ' HG13 ' A' ' 77' ' ' VAL . 4.7 tm0? -53.82 -49.75 67.68 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.71 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.504 ' O ' HG12 ' A' ' 79' ' ' ILE . 33.2 mt-10 -65.15 -28.38 69.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.237 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -71.11 -46.82 60.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.085 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.645 HG12 ' O ' ' A' ' 73' ' ' LEU . 0.2 OUTLIER -59.19 -31.9 47.02 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.532 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -64.98 -32.51 74.26 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 75' ' ' GLU . 14.9 mm -67.99 -0.6 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.342 178.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.18 111.16 0.07 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.72 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.43 ' HB3' HD23 ' A' ' 82' ' ' LEU . 0.8 OUTLIER 176.31 -43.71 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.825 -179.727 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.43 HD23 ' HB3' ' A' ' 81' ' ' GLN . 0.1 OUTLIER -141.47 47.51 1.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.78 -179.813 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.543 ' HA ' HG23 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -65.68 -14.44 61.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.871 179.786 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 -37.24 43.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.966 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.467 ' O ' HG23 ' A' ' 89' ' ' VAL . 14.8 t80 -65.88 -25.87 67.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.865 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.417 ' O ' HG12 ' A' ' 90' ' ' VAL . 20.9 t-105 -75.79 -52.98 9.21 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.605 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.09 -18.5 60.95 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.189 0.519 . . . . 0.0 110.122 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.528 HG21 HD11 ' A' ' 47' ' ' ILE . 44.2 mt -85.38 -60.81 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.166 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 85' ' ' PHE . 48.8 t -49.2 -31.61 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.333 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.517 HG13 ' N ' ' A' ' 91' ' ' GLN . 12.0 p -78.58 -50.13 19.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.758 0.313 . . . . 0.0 110.492 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.517 ' N ' HG13 ' A' ' 90' ' ' VAL . 30.2 tt0 -53.47 -35.8 60.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.958 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.99 5.43 2.03 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.341 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.73 -1.88 56.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.894 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 9.3 mt -70.83 137.81 23.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.751 0.31 . . . . 0.0 110.675 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.4 t -130.7 165.93 21.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.026 0.441 . . . . 0.0 111.587 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.815 HD13 HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -57.94 177.1 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.548 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.505 ' O ' HG11 ' A' ' 107' ' ' VAL . 1.3 mp -74.79 124.88 33.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.141 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.77 145.3 30.56 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.535 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.577 ' HG3' ' HA ' ' A' ' 106' ' ' SER . 22.5 tttt -31.05 -86.06 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.912 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.53 ' C ' ' H ' ' A' ' 102' ' ' ALA . 2.0 pt-20 -61.54 -11.68 12.08 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -70.37 21.87 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.712 0.291 . . . . 0.0 111.187 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.53 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -136.28 -59.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.855 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.7 p -178.65 -39.43 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.71 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 164.86 49.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.821 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.9 m -122.58 127.09 48.98 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.034 0.445 . . . . 0.0 111.614 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.577 ' HA ' ' HG3' ' A' ' 99' ' ' LYS . 28.9 p -57.67 137.35 56.54 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.56 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.505 HG11 ' O ' ' A' ' 97' ' ' ILE . 4.2 t -138.3 132.35 41.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.278 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.38 149.57 10.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.539 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.61 -12.41 58.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.84 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -84.58 -16.51 41.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.148 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.769 ' HG3' HD12 ' A' ' 96' ' ' LEU . 5.9 tt0 -81.2 -46.6 14.59 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.992 -178.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.432 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.84 -45.68 10.09 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -178.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -78.31 -46.92 18.91 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -177.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.9 tmtp? -65.96 -40.52 91.36 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -62.16 -47.49 84.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.655 0.264 . . . . 0.0 111.467 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.0 mp -100.48 41.5 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.169 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.006 179.82 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.469 0.176 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -56.35 -33.14 90.84 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.453 2.102 . . . . 0.0 112.271 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.39 -24.76 60.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.473 ' O ' HG22 ' A' ' 11' ' ' VAL . 33.4 mt-10 -78.4 -48.39 15.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.95 -27.43 68.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.58 ' HD1' ' HB1' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -81.82 -46.71 13.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.688 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 14.1 mtp180 -61.47 -32.78 72.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.316 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 7' ' ' GLU . 27.5 m -78.47 -42.66 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.702 0.287 . . . . 0.0 111.398 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.412 ' N ' HG23 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -63.19 -27.14 69.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.91 -179.873 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 9' ' ' PHE . 25.1 m -95.01 -1.88 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.095 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 11.2 tttt -123.4 42.49 3.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 11.3 mm100 -116.08 -47.56 2.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.899 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.528 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -179.84 -40.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.422 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.528 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 4.3 mptt -156.18 152.94 28.47 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.892 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 179.61 -29.23 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.69 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m 63.81 130.6 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.022 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -77.02 58.67 1.55 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.978 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -133.95 -62.05 0.78 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.731 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -68.7 -43.52 75.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.639 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -66.95 -31.33 71.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.87 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.62 ' O ' HD12 ' A' ' 28' ' ' ILE . 49.8 m -74.2 -57.87 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.514 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -51.54 -42.68 61.96 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.768 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -63.24 -45.33 92.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.38 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -55.89 -46.26 78.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.451 179.424 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.62 HD12 ' O ' ' A' ' 24' ' ' SER . 1.7 mp -62.78 -41.94 94.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.673 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -59.67 -43.79 93.84 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.204 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -59.83 -48.57 81.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.925 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 98.3 mt -55.33 -49.45 72.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.185 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -54.78 -45.04 74.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.66 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -58.41 -45.88 87.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.215 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -56.72 -31.21 64.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.789 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.6 mt -77.12 -17.92 58.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.959 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -65.94 -4.97 7.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.75 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.53 116.47 18.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.405 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -77.23 58.78 1.66 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.376 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.501 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 6.6 mm-40 -120.35 136.77 54.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.599 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.518 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 2.4 m -53.65 -49.76 87.11 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.779 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.518 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 32.1 Cg_exo -58.89 -21.16 56.2 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.178 1.918 . . . . 0.0 112.479 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -84.76 -36.71 21.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.147 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -70.13 -24.75 63.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.939 0.399 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 64.4 mtt -68.41 -32.24 72.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.344 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.14 -30.51 62.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.546 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.6 m -64.4 -50.93 65.71 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.096 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.515 HD11 HG21 ' A' ' 88' ' ' ILE . 6.4 mt -59.62 -40.66 82.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.981 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -26.84 68.03 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.136 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -81.34 -40.35 23.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.348 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.2 tt -69.88 -27.25 32.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.752 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.4 ' HD3' HH11 ' A' ' 51' ' ' ARG . 5.3 mtm180 -77.24 -31.32 55.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.792 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.64 -37.13 28.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.339 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -72.7 -48.38 39.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.496 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.463 HH21 HD12 ' A' ' 97' ' ' ILE . 9.3 mtp180 -51.5 -47.6 63.19 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.278 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -62.64 -45.56 92.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.436 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.53 -36.4 83.69 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -178.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.623 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.65 -54.06 4.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 111.843 -178.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.497 HG23 ' HA ' ' A' ' 102' ' ' ALA . 64.9 mt -52.21 -46.07 44.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.248 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.496 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 3.8 mttp -50.71 -47.3 59.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.693 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.496 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 21.8 p90 179.77 95.85 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.131 0.491 . . . . 0.0 111.071 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.623 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.6 OUTLIER -179.11 -100.28 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.276 179.596 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -131.69 63.35 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.888 0.375 . . . . 0.0 111.296 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -56.05 -31.38 63.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.042 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.588 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 69.3 mt-30 -72.14 -21.95 61.38 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -72.89 -18.97 61.36 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.05 -43.59 12.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.321 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.588 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.6 OUTLIER -69.64 -18.47 63.59 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.652 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -79.59 -58.42 3.2 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.463 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -58.94 -29.6 67.25 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.652 178.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.451 ' CD2' HD22 ' A' ' 73' ' ' LEU . 11.3 mt -76.38 -41.83 46.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.746 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.429 ' HA ' ' HZ ' ' A' ' 115' ' ' PHE . 30.1 mttt -53.13 -44.72 67.95 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.729 178.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.34 -42.22 62.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.38 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.451 HD22 ' CD2' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -49.97 -41.89 47.65 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.181 179.222 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.406 ' HB2' ' HE2' ' A' ' 115' ' ' PHE . 1.5 tm0? -62.54 -48.34 79.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.327 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.418 ' O ' HD12 ' A' ' 79' ' ' ILE . 26.3 mt-10 -65.97 -23.57 66.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.888 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.654 ' HA ' HD12 ' A' ' 79' ' ' ILE . 12.9 tttm -81.48 -51.76 7.95 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.441 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 73' ' ' LEU . 7.2 p -58.84 -28.33 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.037 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -61.76 -46.45 89.54 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' A' ' 76' ' ' LYS . 4.4 mt -57.09 -9.51 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.482 178.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 79.12 116.54 0.06 Allowed 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.073 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.614 ' HB3' HD23 ' A' ' 82' ' ' LEU . 1.7 mt-30 175.43 -34.6 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.192 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.614 HD23 ' HB3' ' A' ' 81' ' ' GLN . 0.1 OUTLIER -136.62 40.34 2.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.721 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -63.91 -14.84 56.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.84 -37.49 55.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.024 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -66.18 -25.67 67.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.997 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -76.5 -56.64 4.44 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.104 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 38.6 mt-10 -62.18 -18.21 60.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.677 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.515 HG21 HD11 ' A' ' 47' ' ' ILE . 33.2 mt -85.24 -60.4 2.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.31 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.502 HG13 ' HB ' ' A' ' 94' ' ' ILE . 25.1 t -47.5 -31.39 2.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.537 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.3 p -87.53 -40.71 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.809 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 1.1 mt-30 -46.39 -28.63 1.4 Allowed 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.424 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.59 -44.78 9.32 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 178.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 120.62 35.28 0.86 Allowed Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.386 -0.825 . . . . 0.0 113.179 177.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.502 ' HB ' HG13 ' A' ' 89' ' ' VAL . 5.8 mt -89.17 153.36 3.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.619 0.247 . . . . 0.0 110.356 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.564 ' HA ' HD11 ' A' ' 116' ' ' LEU . 16.8 p -136.13 174.55 10.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.872 0.367 . . . . 0.0 111.167 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.559 HD22 ' HG3' ' A' ' 111' ' ' GLU . 0.1 OUTLIER -76.27 -169.93 1.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.272 0.558 . . . . 0.0 111.161 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.548 ' O ' HG11 ' A' ' 107' ' ' VAL . 1.3 mp -72.0 117.77 15.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.878 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -103.87 152.01 22.44 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.255 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.567 ' HG2' ' H ' ' A' ' 107' ' ' VAL . 30.6 mttm -19.12 -98.33 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.083 -0.962 . . . . 0.0 113.539 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -70.98 -3.21 18.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.675 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -79.43 3.5 18.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.202 0.525 . . . . 0.0 109.674 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.497 ' HA ' HG23 ' A' ' 58' ' ' ILE . . . -128.72 -79.42 0.57 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.416 ' C ' ' H ' ' A' ' 105' ' ' SER . 3.5 t 165.19 -32.73 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.737 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.94 10.79 0.31 Allowed Glycine 0 CA--C 1.519 0.336 0 CA-C-N 115.98 -0.555 . . . . 0.0 114.003 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 103' ' ' SER . 6.5 m 66.26 -101.15 0.07 Allowed 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 117.411 0.606 . . . . 0.0 111.501 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.5 p -70.48 131.18 43.65 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.412 0.625 . . . . 0.0 112.036 -179.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.567 ' H ' ' HG2' ' A' ' 99' ' ' LYS . 3.2 t -131.75 135.96 57.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.211 178.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.75 146.76 4.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.855 -0.612 . . . . 0.0 112.16 -178.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -84.28 -13.71 51.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.454 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.684 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 27.3 mt-10 -85.19 -18.42 34.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.729 -178.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.559 ' HG3' HD22 ' A' ' 96' ' ' LEU . 9.3 tt0 -82.61 -48.35 11.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.283 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -87.76 -41.15 13.51 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -87.33 -46.53 9.59 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.684 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -64.66 -40.58 95.68 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -177.786 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.429 ' HZ ' ' HA ' ' A' ' 71' ' ' LYS . 12.4 m-85 -59.29 -39.14 82.06 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.564 HD11 ' HA ' ' A' ' 95' ' ' THR . 1.6 mp -95.42 15.11 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.42 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.156 179.765 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.4 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 1.9 t-20 . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.36 0.124 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 4' ' ' ASN . 39.1 Cg_exo -60.84 -34.66 91.07 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.588 2.192 . . . . 0.0 112.495 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.31 -30.76 67.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.195 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -81.25 -44.5 17.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.076 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -63.43 -27.61 69.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.976 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.567 ' HD1' ' HB1' ' A' ' 23' ' ' ALA . 0.7 OUTLIER -82.41 -45.71 14.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.73 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -62.69 -31.87 72.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.235 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.537 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 14.9 p -78.61 -39.96 23.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.225 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -25.88 66.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.847 0.355 . . . . 0.0 110.631 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 9' ' ' PHE . 24.3 m -96.73 -2.88 10.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.558 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -102.84 -47.03 4.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.427 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -83.46 -0.02 48.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.928 -179.645 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -169.44 128.48 0.99 Allowed 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -178.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -83.45 81.15 8.85 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.755 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.12 22.17 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.083 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m 65.13 138.02 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.278 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -79.01 57.86 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.57 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -128.26 -68.33 0.77 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.132 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.65 -46.26 90.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.063 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.567 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -60.84 -42.21 97.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.283 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.637 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.3 OUTLIER -65.36 -53.75 38.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.754 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -52.2 -49.4 63.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -56.1 -47.36 78.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.46 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.71 -49.74 72.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.54 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 24' ' ' SER . 1.7 mp -57.34 -43.31 82.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.05 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.66 -45.49 93.93 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.749 0.309 . . . . 0.0 110.281 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -55.64 -47.63 76.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.695 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 28' ' ' ILE . 71.5 mt -56.3 -49.63 75.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.229 178.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.646 ' HA ' HD12 ' A' ' 35' ' ' LEU . 30.0 mt-10 -54.18 -45.38 72.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.746 179.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -59.61 -47.23 86.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.259 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -54.67 -32.01 58.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.113 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 32' ' ' GLU . 2.4 mt -71.3 -18.84 62.39 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.775 0.322 . . . . 0.0 111.239 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.02 -10.85 56.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.825 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.29 109.38 13.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.683 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.425 ' HA ' ' HE2' ' A' ' 43' ' ' PHE . 3.1 t-20 -76.08 62.01 1.62 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.424 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.561 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 5.8 mm-40 -120.77 161.96 20.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.564 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.561 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 21.2 m -72.05 -49.01 10.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.845 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.561 ' HD2' ' HB3' ' A' ' 39' ' ' GLU . 26.8 Cg_exo -62.44 -20.93 71.98 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.192 1.928 . . . . 0.0 112.411 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -86.24 -51.33 6.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.05 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.425 ' HE2' ' HA ' ' A' ' 38' ' ' ASN . 5.5 m-85 -63.76 -28.34 69.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.575 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.7 mtt -61.41 -24.7 66.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.121 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.17 -55.43 5.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.162 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.03 -49.55 6.09 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.65 178.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.2 mt -55.23 -49.36 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.068 0.461 . . . . 0.0 110.216 178.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.46 -18.91 65.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.294 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -81.74 -48.05 12.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.078 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.73 -23.23 30.43 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.109 0 CA-C-O 121.185 0.517 . . . . 0.0 109.757 179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -77.15 -55.0 5.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.33 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.24 -33.03 71.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.251 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.401 ' HB3' ' HE1' ' A' ' 66' ' ' PHE . 2.0 t80 -76.34 -56.02 5.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.837 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 55' ' ' GLU . 4.3 ppt_? -55.16 -31.59 61.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.547 -179.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 22.4 tt0 -72.55 -54.46 9.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.753 0.311 . . . . 0.0 111.194 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.97 -20.84 66.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.565 ' HB1' ' O ' ' A' ' 62' ' ' GLU . . . -83.95 -60.34 2.14 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.133 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.428 HG23 ' O ' ' A' ' 54' ' ' ARG . 1.4 pp -57.75 -37.27 58.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.893 0.378 . . . . 0.0 110.392 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.479 ' HB3' ' CD1' ' A' ' 60' ' ' PHE . 17.7 mttt -50.78 -55.94 14.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.502 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 59' ' ' LYS . 25.5 p90 178.59 67.11 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.17 0.509 . . . . 0.0 111.309 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.521 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 4.1 m -158.66 -111.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.495 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.565 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 2.0 mm-40 -104.39 79.63 1.6 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.867 0.365 . . . . 0.0 111.309 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.426 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -80.01 -44.96 19.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.732 179.626 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.579 ' HA ' HD21 ' A' ' 67' ' ' ASN . 61.3 mt-30 -67.79 -24.53 65.33 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.741 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.457 ' HB3' ' HB3' ' A' ' 62' ' ' GLU . 1.8 ttt180 -72.92 -20.13 61.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.67 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.401 ' HE1' ' HB3' ' A' ' 53' ' ' PHE . 1.8 t80 -87.13 -44.82 11.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.501 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.579 HD21 ' HA ' ' A' ' 64' ' ' GLN . 0.5 OUTLIER -65.85 -18.39 65.3 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.619 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -79.05 -57.83 3.54 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.5 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -62.03 -33.42 74.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.743 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.561 HD13 HD13 ' A' ' 96' ' ' LEU . 8.6 mt -65.4 -46.1 81.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.163 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -55.97 -46.35 78.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.544 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.99 -43.25 68.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.048 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.56 ' O ' HG12 ' A' ' 77' ' ' VAL . 23.2 tp -54.46 -51.41 65.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.464 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.507 ' O ' HG13 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -49.44 -47.61 48.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.448 179.536 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -65.74 -31.79 72.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.222 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -68.8 -43.12 76.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.9 HG23 ' HA ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -68.81 -28.46 39.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.027 0.442 . . . . 0.0 110.129 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -75.77 -16.71 60.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.17 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.0 mt -120.75 -60.63 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 81' ' ' GLN . 24.2 tttt -35.99 -70.88 0.08 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -178.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.408 ' CB ' ' O ' ' A' ' 80' ' ' LYS . 0.2 OUTLIER 160.24 -21.88 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.247 0.342 . . . . 0.0 110.886 -178.167 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.521 ' HG ' ' HA ' ' A' ' 77' ' ' VAL . 0.6 OUTLIER -74.71 42.31 0.17 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.989 0.423 . . . . 0.0 111.147 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.9 ' HA ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -62.86 -19.82 64.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.925 179.831 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 -73.78 -25.39 60.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.638 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.726 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.7 t80 -60.95 -44.6 97.06 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.593 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.711 ' HB2' HG21 ' A' ' 77' ' ' VAL . 3.7 t-105 -53.37 -47.21 69.65 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.407 ' HA ' HG12 ' A' ' 90' ' ' VAL . 33.6 mt-10 -64.41 -34.02 77.21 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -74.74 -18.4 16.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.477 178.828 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 85' ' ' PHE . 75.8 t -87.41 -35.25 8.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.06 -178.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 87' ' ' GLU . 12.1 p -82.63 -36.69 13.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.816 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -58.44 -46.14 87.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.124 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.05 -1.95 6.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.751 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.66 9.07 86.4 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.025 -0.607 . . . . 0.0 113.088 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.2 mm -66.61 129.83 31.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.795 0.297 . . . . 0.0 110.72 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.417 ' HA ' HD11 ' A' ' 116' ' ' LEU . 49.1 p -121.82 149.53 43.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.495 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.73 HD12 ' HG3' ' A' ' 111' ' ' GLU . 0.3 OUTLIER -55.18 177.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.277 179.778 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.614 HG22 HG21 ' A' ' 107' ' ' VAL . 1.5 mp -74.61 121.23 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.617 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.57 142.34 33.08 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.608 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.604 ' HB3' ' H ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -36.46 -85.53 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.51 179.737 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -52.55 -18.27 1.64 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.755 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.71 13.27 2.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 110.483 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.74 21.59 6.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.6 m 60.02 76.36 0.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.993 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 64.35 36.25 92.97 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.266 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.3 113.04 15.75 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 120.943 0.401 . . . . 0.0 110.919 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.439 ' HA ' ' HB3' ' A' ' 99' ' ' LYS . 58.8 m -65.79 145.04 56.46 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.513 0.673 . . . . 0.0 111.033 -179.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.614 HG21 HG22 ' A' ' 97' ' ' ILE . 1.9 t -142.43 142.3 27.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.166 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.74 149.53 14.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.202 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.0 -12.96 58.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.248 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -84.56 -16.26 42.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.003 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.73 ' HG3' HD12 ' A' ' 96' ' ' LEU . 5.6 tt0 -79.74 -47.24 15.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.969 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.492 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.86 -48.25 7.96 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 48.5 tttt -70.08 -46.92 63.88 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -66.48 -35.91 81.44 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.0 0.371 . . . . 0.0 112.0 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -69.05 -47.59 64.96 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.417 HD11 ' HA ' ' A' ' 95' ' ' THR . 0.4 OUTLIER -81.69 14.97 2.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.527 -179.234 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.88 179.771 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.424 HD22 ' H ' ' A' ' 6' ' ' ALA . 3.4 t30 . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.449 0.166 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -57.56 -29.41 84.91 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.528 2.152 . . . . 0.0 112.37 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.424 ' H ' HD22 ' A' ' 4' ' ' ASN . . . -69.45 -28.12 65.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.443 ' O ' HG23 ' A' ' 11' ' ' VAL . 18.9 mt-10 -79.84 -47.38 15.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.965 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -65.08 -27.4 68.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.63 ' O ' HG22 ' A' ' 13' ' ' VAL . 10.5 t80 -75.32 -51.89 12.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -59.96 -28.43 67.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 7' ' ' GLU . 80.1 t -83.6 -46.9 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.114 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 tt -56.68 -23.94 45.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.337 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 9' ' ' PHE . 12.4 m -94.22 -47.39 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.49 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.411 ' N ' HG23 ' A' ' 13' ' ' VAL . 11.2 tttm -86.2 52.07 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.14 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.433 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 1.8 mm-40 -116.26 -48.32 2.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.022 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER 172.91 -34.95 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.734 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.488 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -167.74 143.76 4.03 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.241 -179.57 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 17' ' ' LYS . . . 174.71 -25.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.98 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 t 70.33 119.78 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.561 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -56.39 -36.64 69.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.326 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -48.94 -60.35 2.83 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -55.82 -50.75 69.67 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.59 -32.6 73.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.433 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.419 ' HB2' ' HZ ' ' A' ' 53' ' ' PHE . 6.1 p -69.65 -54.0 16.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.437 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -54.36 -46.45 72.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.557 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -58.88 -48.96 79.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -56.71 -49.3 75.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.96 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.2 tp -60.69 -36.55 71.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.201 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -64.41 -45.86 85.77 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.47 -44.49 89.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.774 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.1 mt -57.34 -50.39 77.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.148 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.531 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -54.14 -44.78 71.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.643 179.389 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -59.31 -45.92 89.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.199 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -55.37 -31.55 61.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.725 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 32' ' ' GLU . 4.3 mt -76.56 -18.56 58.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.3 -5.7 11.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.782 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.09 110.76 15.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.555 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -76.99 61.98 2.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.327 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.529 ' HB2' ' HB2' ' A' ' 42' ' ' TYR . 2.6 mt-10 -107.44 170.28 8.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.694 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.504 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 27.0 m -81.19 -49.68 1.0 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.927 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.504 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 93.5 Cg_endo -78.29 -0.51 10.77 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.208 1.939 . . . . 0.0 112.783 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.529 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 1.6 m-85 -85.8 -31.28 22.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.244 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -76.04 -23.45 55.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.897 0.38 . . . . 0.0 110.645 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 57.9 mtt -66.68 -33.53 75.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.389 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -75.89 -29.22 58.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.567 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.4 ' HB2' ' HE1' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -66.38 -51.19 59.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.191 179.747 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mt -60.07 -41.26 85.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.365 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.2 -22.98 66.36 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.948 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 m -85.74 -46.58 10.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.194 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.68 -21.18 28.0 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-O 120.993 0.425 . . . . 0.0 110.245 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.57 ' HE ' HD11 ' A' ' 94' ' ' ILE . 4.4 mtt180 -77.84 -54.18 6.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.036 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.18 -32.42 73.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.83 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.419 ' HZ ' ' HB2' ' A' ' 24' ' ' SER . 0.2 OUTLIER -73.9 -57.13 4.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.951 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.405 ' HG3' ' CZ ' ' A' ' 66' ' ' PHE . 19.8 mtp-105 -54.69 -34.53 62.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.995 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -68.59 -56.98 6.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.485 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -64.84 -23.74 67.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.697 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.567 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.68 -61.21 1.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 111.684 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.504 HG12 HG13 ' A' ' 97' ' ' ILE . 57.8 mt -56.53 -40.89 71.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.664 -179.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.495 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 1.0 OUTLIER -53.65 -46.97 70.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.858 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.495 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 18.8 p90 -174.65 89.93 0.06 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.142 0.496 . . . . 0.0 111.244 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.567 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -176.9 -98.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.336 179.66 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -132.62 65.08 1.59 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.024 0.44 . . . . 0.0 110.73 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.73 -32.89 32.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.556 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -78.33 -23.84 46.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.814 0.34 . . . . 0.0 111.221 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 -65.53 -24.69 67.18 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.492 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -89.5 -43.51 10.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.213 179.663 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -66.67 -18.07 65.17 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.628 0.727 . . . . 0.0 109.369 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -77.29 -57.83 3.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.184 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -64.65 -27.35 68.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.583 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.736 HD13 HD13 ' A' ' 96' ' ' LEU . 1.5 mt -69.22 -49.21 58.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.325 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.404 ' HA ' ' HZ ' ' A' ' 115' ' ' PHE . 42.5 mttt -54.68 -40.51 69.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.657 179.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.9 -44.27 32.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.407 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.71 ' O ' HG13 ' A' ' 77' ' ' VAL . 13.0 tp -57.59 -47.51 81.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -57.04 -54.44 46.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.274 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.522 ' O ' HD12 ' A' ' 79' ' ' ILE . 12.1 pt-20 -64.95 -33.41 75.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.231 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -66.25 -58.07 6.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.995 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.71 HG13 ' O ' ' A' ' 73' ' ' LEU . 1.5 m -65.88 -18.19 23.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.681 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.57 -56.1 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.328 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.522 HD12 ' O ' ' A' ' 75' ' ' GLU . 3.3 mt -77.5 56.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.0 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.11 114.14 0.05 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.363 0.601 . . . . 0.0 111.72 178.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.415 ' HB2' ' HA ' ' A' ' 77' ' ' VAL . 2.6 mt-30 169.56 -85.16 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.678 179.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.61 73.36 1.34 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -71.98 -15.78 62.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.652 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -65.33 -41.59 93.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.431 ' O ' HG23 ' A' ' 89' ' ' VAL . 27.5 t80 -63.22 -24.77 68.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.769 0.318 . . . . 0.0 110.646 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.421 ' O ' HG12 ' A' ' 90' ' ' VAL . 55.4 t-105 -78.4 -48.76 14.81 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.539 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -63.35 -19.78 64.93 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.294 0.569 . . . . 0.0 109.816 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 59.9 mt -85.56 -61.21 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.955 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 85' ' ' PHE . 40.1 t -48.92 -31.21 3.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.493 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 91' ' ' GLN . 14.4 p -78.7 -48.9 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.805 0.336 . . . . 0.0 110.447 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.503 ' N ' HG13 ' A' ' 90' ' ' VAL . 25.6 tt0 -55.17 -36.34 65.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.742 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.504 ' HB3' HG12 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -67.21 2.98 1.33 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.386 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.14 -1.73 73.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.265 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.57 HD11 ' HE ' ' A' ' 51' ' ' ARG . 12.1 mm -61.79 130.64 26.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 117.099 0.45 . . . . 0.0 110.777 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.559 ' HA ' HD11 ' A' ' 116' ' ' LEU . 42.3 p -119.38 145.81 45.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.369 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.736 HD13 HD13 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -48.63 172.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.62 179.578 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.675 HG22 HG21 ' A' ' 107' ' ' VAL . 1.7 mp -65.93 109.98 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.362 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.446 ' HB ' ' HG3' ' A' ' 101' ' ' GLU . 0.2 OUTLIER -91.33 134.82 34.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.54 -179.619 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.57 ' HB2' ' HA ' ' A' ' 105' ' ' SER . 0.0 OUTLIER -46.43 -52.49 12.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.712 179.51 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -62.94 -26.51 68.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.513 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.446 ' HG3' ' HB ' ' A' ' 98' ' ' THR . 8.3 mt-10 -76.84 -15.95 59.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.402 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.27 14.54 19.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.372 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 49.82 15.19 0.15 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.923 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -132.41 -6.88 2.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.594 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.57 ' HA ' ' HB2' ' A' ' 99' ' ' LYS . 11.2 t 54.12 47.43 23.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.769 0.319 . . . . 0.0 111.043 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.554 ' O ' HG23 ' A' ' 107' ' ' VAL . 2.8 t -123.3 89.71 3.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.519 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.675 HG21 HG22 ' A' ' 97' ' ' ILE . 0.9 OUTLIER -173.09 148.64 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.377 179.372 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.9 153.41 20.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.089 0.471 . . . . 0.0 112.072 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.04 -12.82 60.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.753 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.417 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 38.5 mt-10 -81.49 -17.05 49.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.602 -179.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.7 ' HG3' HD12 ' A' ' 96' ' ' LEU . 5.3 tt0 -86.8 -48.71 7.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.535 -179.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.492 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.7 -36.33 17.45 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -178.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -87.07 -47.59 8.79 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 2.6 tmtt? -63.12 -33.49 75.56 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -178.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.404 ' HZ ' ' HA ' ' A' ' 71' ' ' LYS . 8.7 m-85 -71.02 -47.2 60.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.691 0.281 . . . . 0.0 111.567 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.559 HD11 ' HA ' ' A' ' 95' ' ' THR . 0.5 OUTLIER -83.63 19.93 1.52 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.291 -179.593 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.901 179.693 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.3 t30 . . . . . 0 CA--C 1.529 0.16 0 CA-C-O 120.445 0.164 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.97 -35.89 97.8 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.492 2.128 . . . . 0.0 112.361 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.01 -38.0 82.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.229 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.554 ' O ' HG22 ' A' ' 11' ' ' VAL . 43.8 mt-10 -69.88 -49.21 54.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.135 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -58.31 -34.77 70.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.981 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.583 ' O ' HG22 ' A' ' 13' ' ' VAL . 7.4 t80 -74.1 -46.34 43.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.605 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -58.2 -40.11 80.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.467 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 7' ' ' GLU . 16.3 m -75.49 -42.79 42.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.388 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.452 ' HG ' ' HB3' ' A' ' 17' ' ' LYS . 2.1 tp -56.12 -34.68 66.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 9' ' ' PHE . 35.6 m -95.44 -13.34 8.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.277 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.542 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 2.0 tttm -65.06 -37.21 86.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.863 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.575 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 7.0 pt20 -94.5 -50.44 5.21 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.578 -179.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HB3' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER 135.67 28.04 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.836 0 O-C-N 124.371 1.045 . . . . 0.0 110.105 179.685 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.452 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -54.39 -81.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.143 -179.252 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.66 -78.16 0.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.341 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.427 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 3.0 t 163.26 -69.4 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.487 -179.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.427 ' HB2' ' O ' ' A' ' 19' ' ' SER . 7.6 t80 176.25 -51.65 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.645 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.43 -59.44 4.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.088 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.88 -50.53 68.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.728 0.299 . . . . 0.0 111.611 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.06 -32.2 73.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.1 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.5 m -68.37 -54.17 19.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.422 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -53.71 -44.75 70.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.401 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -61.47 -47.09 87.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.753 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.506 HD13 ' HD2' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -57.63 -46.93 83.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.036 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -34.65 71.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -65.45 -45.64 82.98 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.985 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -58.89 -45.23 90.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.885 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.75 -49.73 79.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.167 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.593 ' HA ' HD12 ' A' ' 35' ' ' LEU . 35.6 mt-10 -53.42 -45.53 69.41 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.623 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -59.23 -45.47 91.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.194 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -55.45 -31.18 61.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.494 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' A' ' 32' ' ' GLU . 2.6 mt -81.96 -20.01 39.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.786 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.61 -1.24 18.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.029 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.55 128.72 27.71 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -77.02 118.04 19.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.541 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -166.44 153.0 9.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.785 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.549 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 4.3 m -81.06 -50.17 0.99 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.659 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.549 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 11.5 Cg_exo -70.95 -8.38 23.48 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.364 2.043 . . . . 0.0 112.35 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -84.32 -43.72 14.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.091 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -63.91 -29.37 70.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.681 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 62.4 mtt -66.21 -32.33 73.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.365 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -76.15 -27.01 56.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.537 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.53 -52.29 33.72 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.918 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.474 ' O ' HG22 ' A' ' 50' ' ' ILE . 12.4 mt -59.6 -41.41 84.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.178 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.31 -24.43 66.42 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.88 179.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.74 -48.48 9.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.495 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.474 HG22 ' O ' ' A' ' 47' ' ' ILE . 11.6 tt -61.42 -23.45 30.55 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.098 0 CA-C-O 120.99 0.424 . . . . 0.0 110.623 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.3 mtm-85 -75.7 -54.64 6.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.055 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.1 -30.39 70.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.666 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.506 ' HD2' HD13 ' A' ' 27' ' ' LEU . 15.2 t80 -72.67 -57.57 4.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.376 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -59.67 -33.21 71.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.404 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 8.8 mt-10 -66.53 -58.62 4.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.6 -24.32 66.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.074 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.517 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -87.02 -61.52 1.71 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -178.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.767 HD13 ' HA ' ' A' ' 63' ' ' GLU . 34.9 mm -54.59 -40.98 52.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.27 -179.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 7.8 mmtt -52.75 -47.19 67.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.972 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -173.26 84.1 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.778 0.323 . . . . 0.0 111.643 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.517 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 8.1 t -171.9 -98.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.641 179.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -129.98 66.33 1.48 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.861 0.362 . . . . 0.0 111.049 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.767 ' HA ' HD13 ' A' ' 58' ' ' ILE . 5.9 pt-20 -51.71 -35.33 42.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.675 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.587 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 22.0 tt0 -65.72 -19.62 65.97 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.92 0.391 . . . . 0.0 111.185 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -74.78 -21.25 59.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.049 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.566 ' CD2' HD13 ' A' ' 97' ' ' ILE . 8.1 t80 -86.41 -48.65 8.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.189 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.587 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.7 OUTLIER -63.36 -18.31 63.53 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 178.554 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -77.06 -57.53 3.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.676 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -62.65 -33.74 75.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.162 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.844 HD13 HD13 ' A' ' 96' ' ' LEU . 12.9 mt -65.26 -51.59 59.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.608 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -53.26 -45.48 68.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.578 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.63 -43.49 80.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.611 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 tp -50.66 -42.06 56.19 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.462 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.417 ' HA ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -65.06 -49.44 70.07 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.255 179.14 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.74 -27.97 69.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.234 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.694 ' HA ' HD12 ' A' ' 79' ' ' ILE . 35.6 mttt -81.59 -54.15 5.65 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.117 0.484 . . . . 0.0 110.522 -179.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.417 HG12 ' HA ' ' A' ' 74' ' ' GLN . 12.9 p -53.61 -29.71 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.44 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.41 ' C ' ' H ' ' A' ' 80' ' ' LYS . 7.1 mt-10 -62.51 -49.13 76.57 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.694 HD12 ' HA ' ' A' ' 76' ' ' LYS . 4.5 mt -57.39 -7.74 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.64 178.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.41 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 79.75 114.48 0.06 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.22 179.411 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 179.15 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.477 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.413 ' C ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -133.37 41.71 3.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.79 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -59.48 -17.07 28.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.844 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.27 -38.09 19.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.057 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -62.72 -27.49 69.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.166 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.488 ' HA ' HG12 ' A' ' 89' ' ' VAL . 48.1 t-105 -80.66 -49.84 10.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.752 0.311 . . . . 0.0 110.802 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -62.02 -22.03 65.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.003 0.43 . . . . 0.0 110.259 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 61.1 mt -86.42 -58.89 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.837 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' ' 86' ' ' TRP . 5.4 p -48.21 -33.18 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.559 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.484 HG13 ' N ' ' A' ' 91' ' ' GLN . 9.9 p -78.78 -47.11 23.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.859 0.361 . . . . 0.0 110.327 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.484 ' N ' HG13 ' A' ' 90' ' ' VAL . 1.3 mt-30 -54.69 -38.55 67.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.705 178.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.06 -0.21 5.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.05 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.7 8.02 87.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.975 -0.631 . . . . 0.0 113.208 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.476 HD12 HG23 ' A' ' 89' ' ' VAL . 44.9 mt -67.75 130.53 33.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 117.168 0.484 . . . . 0.0 110.73 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.1 p -94.86 -166.03 1.4 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.355 -179.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.844 HD13 HD13 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -109.07 8.58 26.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.96 -179.189 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.566 HD13 ' CD2' ' A' ' 66' ' ' PHE . 0.7 OUTLIER 82.07 128.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.471 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.563 ' H ' ' HG3' ' A' ' 101' ' ' GLU . 0.2 OUTLIER -110.05 147.47 33.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.561 -179.419 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.495 ' HG3' ' H ' ' A' ' 100' ' ' GLU . 5.9 ptpt -36.97 -67.54 0.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 179.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.495 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 3.5 tt0 -57.22 -14.58 4.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -177.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.563 ' HG3' ' H ' ' A' ' 98' ' ' THR . 3.2 mt-10 -60.74 -3.45 0.73 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.987 0.422 . . . . 0.0 110.696 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -118.44 -159.79 0.77 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.44 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.8 t -78.64 -0.46 30.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.725 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.93 67.41 0.16 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.08 -0.581 . . . . 0.0 111.844 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.4 m -126.94 125.22 41.17 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 121.132 0.491 . . . . 0.0 111.715 -179.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.6 m -56.83 138.01 54.04 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.052 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.425 ' N ' ' HB3' ' A' ' 99' ' ' LYS . 23.0 t -141.38 118.5 7.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.866 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.515 HG23 ' H ' ' A' ' 111' ' ' GLU . 1.1 t -47.86 150.51 1.08 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.832 -178.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.12 -11.69 59.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.149 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -79.94 -16.65 54.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.965 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.515 ' H ' HG23 ' A' ' 108' ' ' THR . 6.2 tt0 -80.98 -51.26 8.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.146 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.544 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -86.84 -40.6 14.76 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -178.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -80.61 -48.51 12.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -33.25 75.43 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.442 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . 16.7 m-85 -75.3 -47.97 25.37 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' ' 112' ' ' ALA . 0.5 OUTLIER -74.86 -35.35 62.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.642 -0.253 . . . . 0.0 111.601 -178.861 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.264 -179.859 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.408 ' HB3' ' HB2' ' A' ' 7' ' ' GLU . 2.9 t-20 . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.405 0.145 . . . . 0.0 110.637 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.439 ' O ' ' HB3' ' A' ' 9' ' ' PHE . 32.1 Cg_exo -58.85 -33.68 98.67 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.471 2.114 . . . . 0.0 112.436 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.63 -18.67 37.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.94 0.4 . . . . 0.0 111.26 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 7.9 mt-10 -85.13 -37.15 20.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.096 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.434 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -85.2 -29.3 24.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.494 -179.66 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.551 ' O ' HG22 ' A' ' 13' ' ' VAL . 10.1 t80 -76.02 -46.71 27.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.232 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -63.37 -40.38 97.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.676 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.1 p -68.18 -37.32 77.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.33 0.492 . . . . 0.0 112.33 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 9' ' ' PHE . 0.7 OUTLIER -76.76 -26.19 54.25 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.136 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 9' ' ' PHE . 33.0 m -95.01 -9.73 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.662 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -100.47 -24.19 14.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.311 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.502 ' HG3' ' HG2' ' A' ' 16' ' ' LYS . 3.4 pt20 -54.98 -32.91 62.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.924 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.601 ' HG3' ' H ' ' A' ' 17' ' ' LYS . 9.3 pttp -169.54 -58.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.99 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.601 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER 176.6 -23.48 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.177 -179.649 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 37.26 -97.58 0.02 OUTLIER 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.738 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.6 p -172.12 109.52 0.24 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.81 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -74.96 51.95 0.53 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.29 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -136.26 -58.46 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.53 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.35 -40.57 67.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.461 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.46 ' HB2' HD11 ' A' ' 12' ' ' LEU . . . -66.48 -33.64 76.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.883 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.2 m -76.13 -56.61 4.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.416 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -50.9 -44.64 60.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.748 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -63.36 -43.22 98.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.384 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.446 HD13 ' CD2' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -56.85 -47.7 79.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.486 179.497 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.53 -34.3 66.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.709 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -64.97 -44.22 90.07 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.754 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -60.11 -45.21 93.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.712 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' A' ' 49' ' ' CYS . 94.0 mt -56.69 -50.1 75.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.016 179.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 35' ' ' LEU . 32.7 mt-10 -54.62 -44.04 72.77 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.579 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -59.24 -45.65 90.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.124 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -55.5 -31.98 62.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.789 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 32' ' ' GLU . 11.5 mt -73.74 -18.4 60.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -66.66 -8.49 27.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.607 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.05 114.18 16.75 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.392 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -76.97 60.6 1.83 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.437 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.505 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 6.1 mm-40 -118.7 141.0 49.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.65 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.53 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 3.1 m -57.89 -49.53 93.16 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.95 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.53 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 32.6 Cg_exo -59.56 -19.37 52.05 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 122.273 1.982 . . . . 0.0 112.495 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -86.17 -38.4 17.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.214 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -67.97 -24.3 65.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.781 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 60.4 mtt -69.73 -30.32 67.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.428 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -76.16 -29.74 57.86 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.662 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.2 m -68.21 -51.64 43.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.259 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.475 HD11 HG21 ' A' ' 88' ' ' ILE . 5.4 mt -58.5 -40.99 80.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.14 178.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -24.27 67.63 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.036 179.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.426 ' HB3' HD11 ' A' ' 31' ' ' ILE . 3.1 m -80.01 -38.71 31.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.045 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -72.95 -25.24 21.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.569 179.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.27 -30.67 48.66 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.637 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.89 -35.85 31.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.087 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.446 ' CD2' HD13 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -73.69 -48.6 30.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.616 179.519 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -53.28 -41.9 66.04 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.311 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 6.8 tt0 -67.17 -49.42 64.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.42 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.87 -30.56 71.19 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.54 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -86.09 -57.35 3.06 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.467 HD11 HD11 ' A' ' 97' ' ' ILE . 62.3 mt -55.19 -43.45 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.269 -179.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 2.2 mmtp -50.43 -50.52 51.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.969 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -175.14 84.73 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 120.797 0.332 . . . . 0.0 111.708 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.54 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 4.0 t -169.71 -97.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.603 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.713 ' HB3' ' HB3' ' A' ' 65' ' ' ARG . 2.5 mm-40 -133.92 64.29 1.61 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.017 0.437 . . . . 0.0 111.05 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.466 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -54.13 -34.39 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.305 179.633 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.592 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 58.4 mt-30 -71.88 -23.13 61.45 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.55 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.713 ' HB3' ' HB3' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -73.17 -17.59 61.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.171 0.51 . . . . 0.0 109.846 179.625 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.514 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -87.93 -45.21 10.44 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.171 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.592 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.7 OUTLIER -70.9 -20.93 62.44 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.085 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -69.48 -58.27 4.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.05 178.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -68.83 -26.18 65.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.95 178.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.863 HD13 HD13 ' A' ' 96' ' ' LEU . 2.6 mt -66.35 -47.57 73.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.432 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.4 ' HA ' ' HZ ' ' A' ' 115' ' ' PHE . 88.4 mttt -58.56 -40.7 83.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.82 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.46 -45.53 45.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.034 0.445 . . . . 0.0 111.261 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.765 ' O ' HG13 ' A' ' 77' ' ' VAL . 13.0 tp -57.7 -51.74 68.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -51.24 -51.07 57.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.343 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.482 ' O ' HD12 ' A' ' 79' ' ' ILE . 31.3 mt-10 -64.01 -44.51 92.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -58.68 -54.64 44.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.272 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.765 HG13 ' O ' ' A' ' 73' ' ' LEU . 1.1 m -67.48 -27.73 39.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.765 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.14 -51.07 70.8 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.849 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.482 HD12 ' O ' ' A' ' 75' ' ' GLU . 3.7 mt -64.1 -82.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.806 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -153.41 108.84 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -177.16 -80.63 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.246 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.4 71.55 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.945 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -70.95 -25.14 62.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.574 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.93 -39.72 95.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.712 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.445 ' O ' HG23 ' A' ' 89' ' ' VAL . 28.6 t80 -63.56 -24.61 67.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.556 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.426 ' O ' HG12 ' A' ' 90' ' ' VAL . 48.9 t-105 -79.01 -50.79 10.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.674 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -63.32 -18.59 63.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.211 0.529 . . . . 0.0 109.967 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.475 HG21 HD11 ' A' ' 47' ' ' ILE . 53.3 mt -85.76 -61.94 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.106 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 85' ' ' PHE . 53.4 t -50.4 -28.99 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.515 179.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.523 HG13 ' N ' ' A' ' 91' ' ' GLN . 13.2 p -81.78 -49.9 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.649 0.261 . . . . 0.0 110.623 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.523 ' N ' HG13 ' A' ' 90' ' ' VAL . 2.7 mm-40 -53.36 -31.55 45.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.57 9.75 1.0 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.379 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.63 -7.34 26.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.868 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.414 ' H ' HG13 ' A' ' 94' ' ' ILE . 9.3 mt -67.41 138.93 21.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.764 0.316 . . . . 0.0 110.722 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.44 ' HA ' HD11 ' A' ' 116' ' ' LEU . 1.5 t -130.91 164.87 24.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.996 0.427 . . . . 0.0 111.513 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.863 HD13 HD13 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -57.14 176.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.398 -179.777 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.467 HD11 HD11 ' A' ' 58' ' ' ILE . 1.2 mp -71.5 120.76 20.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.703 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.81 146.84 28.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.552 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.439 ' HG3' ' H ' ' A' ' 100' ' ' GLU . 5.0 ptpt -40.66 -79.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.349 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.527 ' C ' ' H ' ' A' ' 102' ' ' ALA . 12.5 tt0 -56.68 -21.51 28.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.156 -178.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.51 3.81 0.07 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.729 0.3 . . . . 0.0 111.351 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.527 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -144.64 -49.24 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.395 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 t -178.56 -175.09 0.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.162 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -72.19 56.6 1.5 Allowed Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.32 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.6 m -115.75 128.46 55.88 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 120.805 0.336 . . . . 0.0 110.758 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.8 m -59.33 129.94 44.48 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.425 0.631 . . . . 0.0 111.241 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.3 t -134.03 125.42 48.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.608 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -47.86 148.29 1.68 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.884 -178.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.24 -12.76 56.46 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.123 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.461 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 24.9 mt-10 -84.36 -17.06 40.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.408 -178.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.746 ' HG3' HD12 ' A' ' 96' ' ' LEU . 6.3 tt0 -82.96 -46.7 12.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.16 -179.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.438 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.71 -42.27 12.76 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -178.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.64 -46.9 11.83 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -177.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 6.4 tmtm? -64.0 -39.8 94.92 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.4 ' HZ ' ' HA ' ' A' ' 71' ' ' LYS . 8.0 m-85 -64.25 -47.15 80.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.682 0.277 . . . . 0.0 111.593 -179.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.44 HD11 ' HA ' ' A' ' 95' ' ' THR . 3.8 mp -95.4 35.28 1.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.253 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.019 179.743 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.534 ' ND2' ' HB3' ' A' ' 6' ' ' ALA . 1.3 t30 . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.444 0.164 . . . . 0.0 110.782 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -49.85 -31.97 28.26 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.636 2.224 . . . . 0.0 112.714 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.534 ' HB3' ' ND2' ' A' ' 4' ' ' ASN . . . -67.36 -38.89 85.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.208 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.458 ' O ' HG22 ' A' ' 11' ' ' VAL . 50.1 mt-10 -77.39 -42.49 36.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -62.53 -33.26 74.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.528 ' HD1' ' HB1' ' A' ' 23' ' ' ALA . 1.0 OUTLIER -77.31 -44.16 30.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.591 179.862 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.43 HH21 ' HA ' ' A' ' 52' ' ' ALA . 45.6 mtt180 -61.33 -35.18 76.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.441 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 7' ' ' GLU . 30.4 m -80.0 -40.22 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.628 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.33 -27.37 69.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 111.041 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 9' ' ' PHE . 25.7 m -95.62 -4.46 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.3 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -119.94 44.88 2.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.421 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 10.9 mm100 -116.13 -47.9 2.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.83 0.348 . . . . 0.0 110.783 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.495 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER 176.82 -36.38 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.113 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.495 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 89.2 mttt -156.6 151.93 26.58 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.71 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 179.13 -28.39 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.824 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 t 63.68 130.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.036 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -79.9 58.72 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.61 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -132.94 -64.73 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.068 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.53 -42.3 78.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.528 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -67.44 -31.34 71.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.49 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -76.52 -58.14 3.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.687 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -51.97 -45.29 64.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.924 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -61.49 -43.73 98.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.577 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.419 HD12 ' HD2' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -57.76 -46.45 84.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.678 179.515 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 24' ' ' SER . 1.8 mt -62.41 -41.98 93.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.835 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -60.72 -44.73 96.26 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.332 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -57.67 -46.91 83.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.083 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.4 mt -58.46 -48.59 84.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.333 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -53.65 -45.32 70.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.675 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -59.37 -45.37 91.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.206 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -56.61 -28.81 61.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.621 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -81.99 -18.67 42.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.687 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -75.53 -0.2 19.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.006 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.31 126.32 29.47 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.018 0.437 . . . . 0.0 110.781 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -79.69 117.21 20.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.629 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -165.19 158.89 16.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.536 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.524 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 7.7 m -81.18 -49.44 1.01 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.663 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.524 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 5.8 Cg_exo -74.36 -6.44 18.37 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.501 2.134 . . . . 0.0 112.389 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -83.14 -42.57 17.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.148 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -70.4 -33.78 71.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 47.8 mtt -59.87 -33.64 72.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.062 0.458 . . . . 0.0 110.067 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -78.41 -25.98 46.25 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.531 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -66.17 -50.86 62.46 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.748 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.425 HD11 HG21 ' A' ' 88' ' ' ILE . 7.6 mt -59.66 -41.0 83.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.914 178.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.42 -24.37 66.48 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.947 179.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -84.55 -47.14 10.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.138 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.6 tt -62.35 -23.92 33.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.394 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -54.75 6.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.199 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.43 ' HA ' HH21 ' A' ' 10' ' ' ARG . . . -58.53 -33.03 69.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.917 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.419 ' HD2' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -78.03 -56.6 4.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.361 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.652 HH21 HD12 ' A' ' 97' ' ' ILE . 8.2 mtp-105 -52.01 -35.2 46.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.159 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -70.98 -56.93 5.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.487 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -62.65 -24.2 67.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.951 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.559 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -87.23 -59.55 2.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.848 0.356 . . . . 0.0 111.569 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.53 HG23 ' HB2' ' A' ' 102' ' ' ALA . 72.0 mt -55.72 -43.8 74.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.306 -179.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.44 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 2.2 mmtm -51.28 -46.73 62.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.998 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.44 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 22.4 p90 -177.45 91.42 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.002 0.429 . . . . 0.0 111.299 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.559 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 7.0 t -176.92 -98.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.383 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -132.11 64.89 1.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.017 0.437 . . . . 0.0 110.753 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -52.12 -32.63 36.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.584 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -78.98 -23.75 44.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.857 0.361 . . . . 0.0 111.212 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -64.99 -24.57 67.55 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.452 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -89.84 -42.21 11.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.272 179.726 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -68.0 -18.38 64.7 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.589 0.709 . . . . 0.0 109.122 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -76.71 -57.79 3.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.013 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -63.26 -27.03 69.06 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.298 178.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.915 HD13 HD13 ' A' ' 96' ' ' LEU . 2.2 mt -68.97 -48.91 61.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.812 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.408 ' HA ' ' HZ ' ' A' ' 115' ' ' PHE . 52.7 mttt -52.6 -42.56 64.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.05 179.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.66 -42.43 61.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.622 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.549 ' O ' HG12 ' A' ' 77' ' ' VAL . 29.1 tp -51.71 -41.49 61.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.34 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.426 ' HA ' HG12 ' A' ' 77' ' ' VAL . 3.0 tm0? -62.03 -49.72 74.88 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.339 0.59 . . . . 0.0 110.176 178.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.43 -26.22 68.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.939 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.747 ' HA ' HD12 ' A' ' 79' ' ' ILE . 74.6 tttt -81.5 -53.44 6.28 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.463 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 73' ' ' LEU . 7.2 p -58.72 -27.14 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.257 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.504 ' C ' ' H ' ' A' ' 80' ' ' LYS . 4.8 mt-10 -61.37 -50.03 74.54 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.747 HD12 ' HA ' ' A' ' 76' ' ' LYS . 3.1 mt -56.28 -2.71 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.342 178.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.504 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.4 OUTLIER 78.94 118.3 0.06 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.424 0.631 . . . . 0.0 111.349 179.45 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.419 ' HB3' HD23 ' A' ' 82' ' ' LEU . 3.8 mt-30 177.59 -37.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.479 ' HG ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -141.81 45.06 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.767 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -61.48 -29.24 69.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -70.89 -35.58 72.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.437 ' O ' HG23 ' A' ' 89' ' ' VAL . 38.6 t80 -64.4 -26.13 68.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.874 0.368 . . . . 0.0 110.422 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.423 ' O ' HG12 ' A' ' 90' ' ' VAL . 32.4 t-105 -77.92 -51.72 9.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.489 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -62.23 -18.87 62.35 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.23 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.425 HG21 HD11 ' A' ' 47' ' ' ILE . 40.3 mt -85.45 -60.68 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.06 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 85' ' ' PHE . 50.0 t -50.24 -32.54 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.294 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 91' ' ' GLN . 13.9 p -78.41 -49.23 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.712 0.291 . . . . 0.0 110.49 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.503 ' N ' HG13 ' A' ' 90' ' ' VAL . 40.4 tt0 -52.27 -33.54 42.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.006 178.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.23 4.88 3.21 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.03 6.38 79.02 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.127 -0.559 . . . . 0.0 113.083 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.9 mt -75.79 137.1 23.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.756 0.312 . . . . 0.0 110.874 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.574 ' HA ' HD11 ' A' ' 116' ' ' LEU . 15.2 p -125.42 160.08 30.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.21 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.915 HD13 HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -52.58 176.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.546 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.652 HD12 HH21 ' A' ' 54' ' ' ARG . 1.3 mp -68.82 116.03 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.641 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.32 144.66 31.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.332 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.55 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 0.9 OUTLIER -53.68 -47.43 70.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.616 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -52.69 -33.13 46.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.901 0.381 . . . . 0.0 110.71 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -78.86 -29.9 44.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.491 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.53 ' HB2' HG23 ' A' ' 58' ' ' ILE . . . -155.77 142.59 18.91 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 102' ' ' ALA . 1.1 t 90.01 -69.68 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.106 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 124.67 84.94 0.61 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.78 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.456 ' N ' ' HB2' ' A' ' 99' ' ' LYS . 1.1 p 65.03 12.9 8.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.657 0.265 . . . . 0.0 111.26 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.668 ' O ' HG23 ' A' ' 107' ' ' VAL . 75.6 m -110.86 94.99 5.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.283 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 106' ' ' SER . 1.0 OUTLIER -177.91 146.22 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.883 179.66 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.52 150.28 36.61 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.05 -179.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.24 -12.79 59.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.306 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -84.39 -16.65 42.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.353 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.673 ' HG3' HD12 ' A' ' 96' ' ' LEU . 4.7 tt0 -82.79 -47.16 12.22 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.141 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.568 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.44 -42.86 12.5 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -178.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -80.48 -47.77 13.8 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -63.46 -34.18 77.19 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.408 ' HZ ' ' HA ' ' A' ' 71' ' ' LYS . 7.4 m-85 -69.28 -47.34 64.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.614 0.245 . . . . 0.0 111.543 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.574 HD11 ' HA ' ' A' ' 95' ' ' THR . 1.0 OUTLIER -85.4 10.79 11.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.739 0.304 . . . . 0.0 111.139 -179.784 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.956 179.78 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 120.427 0.156 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -51.13 -35.26 51.01 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.538 2.159 . . . . 0.0 112.449 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.91 -36.36 83.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.078 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.426 ' O ' HG12 ' A' ' 11' ' ' VAL . 2.3 mm-40 -74.66 -45.87 41.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.002 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -61.39 -32.35 72.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.548 ' HD1' ' HB1' ' A' ' 23' ' ' ALA . 6.5 t80 -76.6 -48.45 19.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.66 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -57.24 -36.66 71.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.3 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 7' ' ' GLU . 12.8 p -80.14 -40.59 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.285 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.406 HD23 ' HB2' ' A' ' 23' ' ' ALA . 1.3 tp -58.57 -31.8 68.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 9' ' ' PHE . 33.4 m -94.48 -5.43 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.377 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -118.55 36.91 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.226 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.419 ' HG3' ' HG2' ' A' ' 16' ' ' LYS . 3.5 pt20 -116.2 -38.1 3.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.959 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.702 ' HG3' ' H ' ' A' ' 17' ' ' LYS . 27.1 pttt -162.92 -72.3 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.702 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 6.2 tptp -174.94 75.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.781 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.98 1.31 36.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.233 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.2 m 62.2 134.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.475 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -78.0 63.04 2.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.762 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -141.53 -62.47 0.46 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.964 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -65.0 -46.05 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.548 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -70.79 -27.04 63.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.995 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.492 ' O ' HD12 ' A' ' 28' ' ' ILE . 44.2 m -75.48 -59.52 2.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.554 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -54.29 -40.77 68.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.855 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -62.8 -45.97 90.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.635 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -57.16 -44.28 83.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.666 179.645 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 24' ' ' SER . 1.5 mp -65.14 -42.34 94.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.757 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -43.59 98.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.427 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -48.42 81.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.195 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 28' ' ' ILE . 62.4 mt -54.05 -45.62 65.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.245 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.28 -27.9 63.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.378 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -67.16 -28.44 68.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.389 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -82.53 -26.5 32.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.083 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.476 HD21 HD13 ' A' ' 82' ' ' LEU . 1.0 OUTLIER -71.0 -18.38 62.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.488 179.526 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -73.77 -2.45 23.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.72 127.93 28.05 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.635 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -79.38 121.13 24.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.61 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -166.09 148.34 7.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.534 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.519 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 3.5 m -76.18 -49.44 3.18 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.616 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.519 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 12.1 Cg_exo -70.85 -5.68 17.43 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.397 2.064 . . . . 0.0 112.279 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -85.84 -41.01 15.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.135 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -62.21 -28.61 69.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.809 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 57.0 mtt -67.62 -32.6 73.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.298 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -73.75 -29.37 62.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.554 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.73 -52.25 27.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.124 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.45 ' O ' HG22 ' A' ' 50' ' ' ILE . 11.6 mt -58.87 -42.92 87.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.302 179.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -61.0 -25.06 66.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.048 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -82.93 -47.57 11.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.36 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.45 HG22 ' O ' ' A' ' 47' ' ' ILE . 3.7 tt -61.07 -26.1 38.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.445 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 mmt85 -75.75 -55.03 6.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.206 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.82 -35.65 66.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.916 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.2 -51.71 11.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.928 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.477 ' O ' HG23 ' A' ' 58' ' ' ILE . 4.9 mtp-105 -45.93 -43.97 14.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.069 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -70.55 -45.57 65.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.702 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -63.4 -27.54 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.747 0.308 . . . . 0.0 111.36 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.567 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.03 -55.79 3.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.1 -179.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.533 ' HB ' ' HB2' ' A' ' 102' ' ' ALA . 1.7 pp -55.27 -41.86 63.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.477 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.431 ' H ' HG13 ' A' ' 58' ' ' ILE . 30.4 mttp -50.66 -56.57 11.28 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.863 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -177.45 82.61 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.822 0.344 . . . . 0.0 111.489 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.567 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.6 OUTLIER -162.53 -96.0 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.31 179.675 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -134.04 58.34 1.77 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.931 0.396 . . . . 0.0 110.859 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.508 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 5.7 pt-20 -52.84 -42.45 65.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.843 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.518 ' C ' ' OD1' ' A' ' 67' ' ' ASN . 35.0 mt-30 -69.22 -13.84 62.63 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.4 ttt85 -81.94 -58.96 2.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.848 0.356 . . . . 0.0 110.338 178.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -47.96 -46.78 32.7 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.134 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.518 ' OD1' ' C ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -64.72 -53.35 48.65 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.385 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -41.93 -50.93 4.49 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.259 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -71.71 -31.86 67.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.431 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.814 HD13 HD13 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -60.25 -37.6 80.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.463 179.397 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -68.11 -36.09 79.2 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.142 0.496 . . . . 0.0 109.986 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.15 -41.67 66.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.778 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.729 ' O ' HG13 ' A' ' 77' ' ' VAL . 9.3 tp -63.62 -49.43 73.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.72 179.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.5 -51.76 65.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.22 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -62.28 -46.97 86.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.174 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -56.64 -57.98 10.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.332 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 73' ' ' LEU . 1.5 m -64.66 -27.36 42.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.819 0.343 . . . . 0.0 110.731 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.5 -51.53 69.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.363 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.6 mt -58.22 -86.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.004 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -149.82 99.11 2.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.021 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.26 -82.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.608 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.476 HD13 HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -137.69 73.53 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.814 179.688 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -72.49 -15.06 61.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.532 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.13 -43.74 66.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.514 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.553 ' O ' HG13 ' A' ' 89' ' ' VAL . 34.4 t80 -55.05 -36.04 65.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.58 ' HA ' HG22 ' A' ' 89' ' ' VAL . 68.1 t-105 -77.85 -43.3 30.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -63.56 -23.06 67.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.293 0.568 . . . . 0.0 109.832 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 55.8 mt -85.61 -62.43 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.31 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.58 HG22 ' HA ' ' A' ' 86' ' ' TRP . 33.5 m -51.14 -28.85 7.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.777 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.498 ' HB ' ' O ' ' A' ' 86' ' ' TRP . 0.5 OUTLIER -70.11 -51.65 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.709 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.473 ' N ' HG12 ' A' ' 90' ' ' VAL . 4.7 mm100 -59.0 -40.16 84.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.309 178.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.58 -5.88 6.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.617 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.03 31.56 28.48 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.706 -0.759 . . . . 0.0 113.411 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 28.2 mm -83.31 118.73 31.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.865 0.364 . . . . 0.0 110.331 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.458 ' HA ' HD11 ' A' ' 116' ' ' LEU . 13.9 t -101.64 -167.05 1.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.439 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.814 HD13 HD13 ' A' ' 70' ' ' LEU . 0.7 OUTLIER -110.98 170.11 8.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.313 -179.199 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.511 HG22 ' O ' ' A' ' 97' ' ' ILE . 1.6 mp -64.0 103.4 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.382 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.587 ' HA ' HG11 ' A' ' 107' ' ' VAL . 1.4 m -101.09 144.83 29.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.468 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.58 ' HB2' ' N ' ' A' ' 105' ' ' SER . 0.0 OUTLIER -43.32 -65.6 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.844 179.636 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.435 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 0.1 OUTLIER -51.56 -27.21 10.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.638 -179.458 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -78.59 -34.47 46.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.642 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.533 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . . . -125.34 -75.57 0.59 Allowed 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 33.5 t -109.35 91.58 3.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.861 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 106' ' ' SER . . . -33.88 132.52 0.38 Allowed Glycine 0 CA--C 1.52 0.358 0 CA-C-N 115.855 -0.611 . . . . 0.0 114.503 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.58 ' N ' ' HB2' ' A' ' 99' ' ' LYS . 16.2 m 62.09 -17.53 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.725 ' O ' HG23 ' A' ' 107' ' ' VAL . 0.4 OUTLIER -98.03 88.97 4.38 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.876 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 106' ' ' SER . 1.3 t 178.31 136.27 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.445 178.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.475 HG23 ' H ' ' A' ' 111' ' ' GLU . 12.0 t -74.78 150.6 39.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.173 0.511 . . . . 0.0 112.127 -179.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -77.05 -12.26 59.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.755 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.537 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 4.4 tt0 -83.95 -17.4 40.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.526 -179.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.475 ' H ' HG23 ' A' ' 108' ' ' THR . 5.5 tt0 -85.38 -48.6 8.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.308 -179.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.597 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.33 -38.77 15.94 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -178.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -87.19 -46.85 9.37 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.537 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 4.2 tmtt? -64.99 -27.7 69.01 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -73.11 -47.4 44.6 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.458 HD11 ' HA ' ' A' ' 95' ' ' THR . 1.0 OUTLIER -79.93 -20.65 45.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.748 0.309 . . . . 0.0 111.386 -179.426 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.096 179.831 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.625 HD22 ' H ' ' A' ' 6' ' ' ALA . 1.1 t30 . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.354 0.121 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.493 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 48.8 Cg_exo -56.02 -27.78 66.01 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.455 2.104 . . . . 0.0 112.368 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.625 ' H ' HD22 ' A' ' 4' ' ' ASN . . . -70.34 -33.74 71.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.164 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.492 ' O ' HG23 ' A' ' 11' ' ' VAL . 39.4 mt-10 -73.19 -53.56 10.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.247 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.493 ' OD1' ' HA ' ' A' ' 5' ' ' PRO . 0.6 OUTLIER -61.6 -26.09 67.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.846 -179.735 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.532 ' O ' HG22 ' A' ' 13' ' ' VAL . 42.8 t80 -73.86 -51.88 14.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.366 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -57.36 -36.87 71.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.64 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 7' ' ' GLU . 77.5 t -72.71 -46.36 54.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.686 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.3 tp -54.56 -31.72 57.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.418 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.571 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 16.1 m -94.18 -1.03 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 0.0 111.228 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -123.97 40.32 3.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.4 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -115.77 -47.16 2.81 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.006 0.431 . . . . 0.0 111.124 179.62 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.18 -75.7 0.2 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.477 -178.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -163.13 90.16 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.174 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.571 ' HB3' ' HA ' ' A' ' 13' ' ' VAL . . . -103.6 -9.67 19.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 m 55.49 -92.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.455 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 175.69 50.74 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.72 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -127.66 -70.91 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.19 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -60.24 -46.48 89.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.27 -26.25 63.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.311 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.4 -58.94 2.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.823 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.435 ' O ' HG22 ' A' ' 28' ' ' ILE . 25.4 m-80 -54.77 -41.79 70.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.722 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -60.04 -48.08 83.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.449 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -57.04 -47.6 80.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.629 179.501 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.446 ' HA ' HD12 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -62.59 -33.55 60.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.652 179.82 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.59 -44.97 85.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.915 179.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.85 -43.76 97.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.628 179.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' A' ' 28' ' ' ILE . 91.1 mt -56.76 -50.14 75.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.999 179.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.579 ' HA ' HD12 ' A' ' 35' ' ' LEU . 33.6 mt-10 -53.98 -44.0 70.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.451 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -59.32 -45.64 90.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.958 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -54.19 -31.9 54.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.335 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 32' ' ' GLU . 3.1 mt -79.24 -26.09 42.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.698 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.62 -46.29 84.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.439 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -57.47 -71.38 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.898 179.494 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 37' ' ' THR . 33.9 m120 92.44 61.08 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 O-C-N 123.909 0.756 . . . . 0.0 110.878 179.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.525 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 1.6 mm-40 -127.15 179.85 5.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.552 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.567 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 85.9 m -81.18 -48.77 1.05 Allowed Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.567 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 9.0 Cg_exo -72.18 -10.37 25.74 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.388 2.059 . . . . 0.0 112.327 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -86.79 -37.13 18.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.233 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -68.05 -25.06 65.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.934 0.397 . . . . 0.0 110.658 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 64.0 mtt -68.47 -31.51 70.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.142 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.16 -27.57 53.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.536 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 m -65.38 -52.84 50.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.988 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.444 HD11 HG21 ' A' ' 88' ' ' ILE . 11.2 mt -60.6 -39.18 80.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.312 178.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -26.57 68.06 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.031 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 m -83.89 -47.02 11.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.41 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.8 tt -63.87 -21.49 28.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 121.002 0.43 . . . . 0.0 110.597 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -76.5 -53.61 7.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.876 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.0 -32.1 73.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.932 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.62 -56.44 4.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.987 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.478 ' O ' HG23 ' A' ' 58' ' ' ILE . 38.2 mtt180 -48.85 -43.25 38.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.268 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -66.81 -46.96 73.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.687 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.88 -27.37 68.81 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 111.156 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.587 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -83.41 -57.3 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.531 HG13 ' N ' ' A' ' 59' ' ' LYS . 1.0 OUTLIER -56.07 -38.87 55.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.464 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.531 ' N ' HG13 ' A' ' 58' ' ' ILE . 32.6 mttt -50.5 -56.22 12.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.551 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -178.75 70.29 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.674 0.273 . . . . 0.0 111.42 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.587 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.6 OUTLIER -150.86 -101.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.721 179.819 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -131.26 64.36 1.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.936 0.398 . . . . 0.0 111.399 -179.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -55.03 -35.58 64.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.167 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.604 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 48.5 mt-30 -70.12 -24.87 63.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.98 0.419 . . . . 0.0 111.044 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -71.36 -19.28 62.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.241 0.543 . . . . 0.0 109.558 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.471 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -87.78 -45.61 10.18 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.38 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.623 ' HA ' HD21 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -68.68 -18.7 64.31 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.163 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -75.41 -58.15 3.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.262 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -63.55 -29.51 70.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.879 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.891 HD13 ' HG ' ' A' ' 96' ' ' LEU . 3.4 mt -70.69 -46.95 62.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.449 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -53.35 -40.98 65.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.503 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.73 -43.09 48.65 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.701 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.525 ' O ' HG12 ' A' ' 77' ' ' VAL . 12.3 tp -55.99 -39.08 71.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.355 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.517 ' HA ' HG12 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -63.01 -52.14 64.11 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.421 179.289 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.699 ' O ' HD12 ' A' ' 79' ' ' ILE . 4.8 mt-10 -57.33 -28.76 63.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.985 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -81.84 -54.81 5.05 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.631 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 73' ' ' LEU . 8.5 p -57.39 -29.71 33.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.368 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -53.97 52.35 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.699 HD12 ' O ' ' A' ' 75' ' ' GLU . 3.5 mt -68.25 -77.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.63 178.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -162.46 119.78 2.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -177.58 -80.05 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.686 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.501 ' C ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -125.44 55.43 1.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.902 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -58.15 -17.51 19.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.255 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.95 -35.0 22.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.522 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.6 t80 -71.01 -24.07 62.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.902 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.52 ' HB2' HG21 ' A' ' 77' ' ' VAL . 36.1 t-105 -72.48 -58.57 3.28 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.495 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 23.1 mt-10 -60.93 -17.84 53.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.056 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.444 HG21 HD11 ' A' ' 47' ' ' ILE . 10.9 mt -80.91 -59.97 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.833 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.616 HG13 ' HB ' ' A' ' 94' ' ' ILE . 52.9 t -47.58 -32.78 2.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.625 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.1 p -87.41 -40.13 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.024 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 0.8 OUTLIER -46.06 -29.06 1.35 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.32 178.372 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.9 -43.96 8.7 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 122.72 12.31 5.06 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.9 178.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.616 ' HB ' HG13 ' A' ' 89' ' ' VAL . 9.9 mt -67.53 150.47 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.692 0.282 . . . . 0.0 110.554 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.584 ' HA ' HD11 ' A' ' 116' ' ' LEU . 21.3 p -126.35 173.62 9.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.565 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.891 ' HG ' HD13 ' A' ' 70' ' ' LEU . 1.5 tt -54.21 -113.87 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.26 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.64 HG22 HG21 ' A' ' 107' ' ' VAL . 1.0 OUTLIER -110.14 -37.56 3.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 O-C-N 122.053 -0.404 . . . . 0.0 110.985 179.689 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.444 HG23 ' HB1' ' A' ' 112' ' ' ALA . 0.2 OUTLIER 61.56 125.56 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.045 179.321 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.649 ' HB2' ' HA ' ' A' ' 105' ' ' SER . 0.0 OUTLIER -47.79 -55.84 8.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.611 179.482 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -53.15 -31.07 40.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.199 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.466 ' HG3' HD13 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -108.27 39.98 1.86 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.997 0.427 . . . . 0.0 110.707 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.44 -102.51 0.42 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.2 p -134.78 -9.55 2.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.806 0.336 . . . . 0.0 110.986 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 160.22 61.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.438 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.649 ' HA ' ' HB2' ' A' ' 99' ' ' LYS . 0.5 OUTLIER 52.47 46.48 26.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.723 0.297 . . . . 0.0 111.232 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.824 ' O ' HG23 ' A' ' 107' ' ' VAL . 48.3 m -120.7 90.52 3.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.452 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 106' ' ' SER . 4.1 t -174.63 147.19 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.75 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.478 HG23 ' H ' ' A' ' 111' ' ' GLU . 5.7 t -81.94 150.94 27.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.928 0.394 . . . . 0.0 111.658 -179.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.46 -13.72 61.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.76 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.484 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 26.2 mt-10 -84.82 -17.64 37.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.47 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.825 ' HG3' HD13 ' A' ' 96' ' ' LEU . 2.5 tt0 -85.64 -44.35 12.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.29 -179.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.444 ' HB1' HG23 ' A' ' 98' ' ' THR . . . -87.71 -41.95 12.98 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -87.11 -45.07 11.04 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -177.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.484 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 3.5 tmtp? -66.86 -39.63 87.62 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.599 ' CG ' HD12 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -55.87 -40.6 73.17 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.391 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.602 HD21 ' O ' ' A' ' 94' ' ' ILE . 5.0 mp -98.26 19.85 13.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.652 0.263 . . . . 0.0 111.431 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.938 179.852 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.469 ' HB3' ' HB2' ' A' ' 7' ' ' GLU . 1.5 t30 . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 120.533 0.206 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.2 -37.42 95.49 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.508 2.138 . . . . 0.0 112.476 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.93 -39.74 83.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.273 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.481 ' O ' HG22 ' A' ' 11' ' ' VAL . 6.4 tt0 -68.42 -51.28 45.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.136 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -55.71 -37.62 68.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.522 ' HD1' ' HB1' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -71.55 -45.09 63.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.575 179.777 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -59.53 -40.67 87.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.529 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.528 ' HA ' ' HB2' ' A' ' 14' ' ' LYS . 17.2 m -74.96 -44.39 44.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.501 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.479 HD23 ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -54.75 -32.95 60.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.771 0.32 . . . . 0.0 111.056 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 9' ' ' PHE . 34.1 m -95.11 -10.72 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.99 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.528 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 12.6 tttt -71.76 -30.29 65.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.257 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.465 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 1.9 pt20 -106.73 -51.33 2.95 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 120.601 -0.44 . . . . 0.0 112.138 -179.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.502 ' O ' ' C ' ' A' ' 17' ' ' LYS . 2.7 tppt? 157.33 -19.99 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.533 0.521 . . . . 0.0 109.894 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -18.08 -64.98 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.373 -0.831 . . . . 0.0 112.121 -179.396 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.01 162.4 33.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.515 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.7 m -87.16 171.63 10.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.748 0.308 . . . . 0.0 110.603 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -56.98 -46.3 82.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.252 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -47.99 -64.45 0.79 Allowed 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -53.46 -50.91 64.3 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.712 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.522 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -62.54 -31.33 72.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.119 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.9 m -67.49 -54.07 23.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.206 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -54.02 -44.51 71.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.258 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -60.89 -48.79 80.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.9 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.427 HD13 ' CD2' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -57.15 -48.11 79.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.065 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.0 -34.86 68.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.089 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.61 -45.91 81.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.005 0.431 . . . . 0.0 110.175 179.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -59.7 -44.5 93.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.948 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.04 -51.06 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.446 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 30.7 mt-10 -54.23 -37.84 65.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.806 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -67.07 -47.06 72.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.346 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -56.45 -28.57 59.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.713 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 32' ' ' GLU . 1.3 mt -60.96 -48.02 83.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.638 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -48.76 -21.49 0.63 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.112 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.34 101.49 12.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.311 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -77.84 54.38 1.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.362 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.441 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 9.3 mm-40 -115.15 138.29 51.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.594 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.52 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 2.5 m -57.26 -49.74 92.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.703 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.52 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 26.7 Cg_exo -62.72 -21.19 72.75 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.218 1.945 . . . . 0.0 112.297 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -83.69 -35.6 24.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -71.16 -22.21 62.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.909 0.385 . . . . 0.0 110.703 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 63.9 mtt -67.66 -30.86 70.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.059 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.24 -28.88 61.45 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.479 179.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.28 -51.81 48.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.892 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.7 mm -59.16 -41.8 84.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.045 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -26.73 67.48 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.152 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.9 m -82.72 -48.49 10.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.341 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.0 tt -59.96 -25.69 33.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.573 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -75.16 -54.9 6.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.179 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.95 -33.21 66.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.818 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.427 ' CD2' HD13 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -75.51 -55.7 5.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.251 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.405 ' O ' HG23 ' A' ' 58' ' ' ILE . 36.4 ttm-85 -51.69 -43.8 62.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.482 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -64.35 -56.13 16.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.67 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.81 -21.09 66.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.68 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.623 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -86.41 -59.97 2.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.784 0.326 . . . . 0.0 111.302 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.494 ' HA ' ' HB3' ' A' ' 63' ' ' GLU . 1.9 pp -56.22 -39.81 61.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.486 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -50.64 -55.14 17.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.691 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -176.08 77.18 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 120.769 0.319 . . . . 0.0 111.507 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.623 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 3.2 t -161.39 -99.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.584 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 65' ' ' ARG . 27.9 mt-10 -131.38 64.33 1.59 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.886 0.374 . . . . 0.0 111.177 -179.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.494 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 4.2 pt-20 -53.3 -36.88 61.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.262 179.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.594 ' HA ' HD21 ' A' ' 67' ' ' ASN . 56.6 mt-30 -65.12 -21.51 66.81 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.136 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.41 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 2.1 ttt85 -74.06 -19.65 60.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.107 0.48 . . . . 0.0 109.925 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.16 -48.32 7.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.265 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.802 HD22 HG21 ' A' ' 97' ' ' ILE . 0.7 OUTLIER -63.27 -18.34 63.47 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.352 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -74.02 -57.41 3.98 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 114.65 -1.159 . . . . 0.0 109.0 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -67.31 -23.67 65.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.886 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.841 HD12 HD13 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -70.31 -54.17 13.72 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.949 0.404 . . . . 0.0 110.021 179.67 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -53.13 -40.9 64.57 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.36 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.36 -43.07 70.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.599 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 tp -52.62 -39.25 61.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.425 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.501 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -67.76 -50.97 54.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.112 178.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -57.63 -31.37 66.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.325 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.759 ' HA ' HD12 ' A' ' 79' ' ' ILE . 40.9 mttt -81.64 -53.68 6.03 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.982 0.42 . . . . 0.0 110.879 -178.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 74' ' ' GLN . 7.7 p -50.94 -29.76 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.406 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.416 ' C ' ' H ' ' A' ' 80' ' ' LYS . 23.4 mt-10 -64.32 -49.41 71.86 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 178.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.759 HD12 ' HA ' ' A' ' 76' ' ' LYS . 4.3 mt -59.46 -5.04 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.864 178.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.56 ' HA ' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER 81.79 119.98 0.05 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.497 179.106 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.686 ' HB3' HD23 ' A' ' 82' ' ' LEU . 1.6 mt-30 174.28 -40.65 0.01 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.739 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.686 HD23 ' HB3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -130.14 42.1 3.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 -179.741 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.56 HD21 ' HA ' ' A' ' 80' ' ' LYS . 0.6 OUTLIER -58.05 -25.87 61.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.755 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -84.84 -37.81 20.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.781 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.501 ' O ' HG23 ' A' ' 89' ' ' VAL . 5.9 t80 -55.83 -44.86 78.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.97 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 25.7 t-105 -59.35 -43.61 92.77 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.51 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -63.59 -37.64 88.1 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 27.1 mt -73.66 -19.24 17.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.08 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.688 ' HA ' HD12 ' A' ' 94' ' ' ILE . 9.7 t -83.33 -38.56 14.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.353 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.5 p -84.66 -35.0 9.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.622 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.94 -50.26 69.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.312 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.34 -5.12 1.48 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.825 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.28 2.78 90.34 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.957 -0.64 . . . . 0.0 113.09 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 89' ' ' VAL . 15.6 mt -60.14 121.5 8.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 117.049 0.424 . . . . 0.0 110.671 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.548 ' HA ' HD11 ' A' ' 116' ' ' LEU . 33.0 p -95.69 -166.49 1.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.521 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.841 HD13 HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -103.56 170.17 8.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.887 -179.615 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.802 HG21 HD22 ' A' ' 67' ' ' ASN . 1.7 mp -71.0 106.66 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.486 ' HA ' HG11 ' A' ' 107' ' ' VAL . 0.2 OUTLIER -106.19 145.24 31.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.803 -179.31 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 105' ' ' SER . 0.0 OUTLIER -46.18 -64.97 0.62 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.502 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.417 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -61.23 -29.74 70.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.996 -179.791 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.442 ' O ' HD13 ' A' ' 58' ' ' ILE . 4.2 mt-10 -82.58 12.66 4.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.784 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -113.38 -76.65 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.3 t -170.24 -78.09 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.25 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -93.98 34.6 4.58 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.969 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' A' ' 99' ' ' LYS . 0.3 OUTLIER 47.21 60.29 3.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.822 0.344 . . . . 0.0 111.406 179.893 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.482 ' O ' HG23 ' A' ' 107' ' ' VAL . 9.3 m -123.72 88.94 3.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.365 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.794 HG21 HG22 ' A' ' 97' ' ' ILE . 1.1 t 179.22 154.27 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.175 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.43 149.91 25.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.192 0.52 . . . . 0.0 111.808 -179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.79 -12.3 58.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.646 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -75.23 -19.6 59.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.232 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.603 ' HG3' HD12 ' A' ' 96' ' ' LEU . 4.2 tt0 -79.9 -49.1 12.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.83 0.348 . . . . 0.0 111.303 -179.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.543 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -76.01 -22.34 55.9 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -87.62 -49.83 6.9 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -70.04 -28.84 65.79 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.441 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . 9.6 m-85 -77.58 -47.45 19.38 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.548 HD11 ' HA ' ' A' ' 95' ' ' THR . 0.4 OUTLIER -83.98 37.86 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.939 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.004 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.1 t30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.439 0.162 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.62 -40.7 82.9 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.524 2.149 . . . . 0.0 112.399 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.61 -34.32 76.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.069 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.521 ' O ' HG22 ' A' ' 11' ' ' VAL . 1.9 tp10 -71.17 -51.95 21.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.932 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -56.55 -33.92 66.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.613 ' O ' HG22 ' A' ' 13' ' ' VAL . 6.0 t80 -73.46 -48.52 32.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.517 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -56.33 -39.43 72.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.198 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 7' ' ' GLU . 17.5 m -77.9 -42.35 28.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.031 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mt -54.43 -33.8 60.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.333 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 9' ' ' PHE . 16.9 m -92.93 -1.77 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.775 0.322 . . . . 0.0 111.311 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.39 41.13 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.414 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.449 ' H ' ' HG3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -115.99 -47.21 2.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.011 0.434 . . . . 0.0 111.032 179.706 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -151.67 -77.96 0.12 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.617 -178.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -159.28 83.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.473 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.85 -7.68 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.798 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 t 65.73 -90.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.218 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 t80 178.0 -36.51 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.13 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.29 -61.65 1.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.032 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -54.54 -50.02 68.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.671 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.573 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -59.91 -39.75 86.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.699 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.603 ' O ' HD12 ' A' ' 28' ' ' ILE . 49.9 m -66.45 -53.79 31.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.646 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -51.41 -49.41 61.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.572 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -47.46 84.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.684 179.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.8 -50.66 69.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.045 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.603 HD12 ' O ' ' A' ' 24' ' ' SER . 1.5 mp -58.53 -41.99 83.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.243 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.02 -45.83 93.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.857 0.361 . . . . 0.0 110.379 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -47.26 83.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.978 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.9 mt -56.92 -50.15 76.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.348 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.507 ' HA ' HD12 ' A' ' 35' ' ' LEU . 39.9 mt-10 -55.55 -43.02 75.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.676 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -59.82 -46.54 88.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.218 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -55.62 -31.93 62.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.904 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 32' ' ' GLU . 3.3 mt -69.48 -18.2 63.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.882 0.373 . . . . 0.0 111.077 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.13 -9.51 53.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.614 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.42 113.61 16.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.473 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -78.06 58.97 2.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.254 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.475 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 6.9 mm-40 -119.5 140.89 49.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.714 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.516 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 2.8 m -60.54 -49.47 89.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.761 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.516 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 32.7 Cg_exo -58.23 -24.32 66.61 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.155 1.904 . . . . 0.0 112.36 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -86.14 -36.72 19.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.013 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -72.2 -23.72 61.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.747 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 48.3 mtt -67.47 -29.46 68.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.887 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.94 -27.75 54.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.476 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.6 m -65.79 -51.13 61.56 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.82 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.466 ' O ' HG22 ' A' ' 50' ' ' ILE . 5.5 mt -60.57 -39.47 81.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.84 178.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.91 -25.38 66.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.799 178.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.1 m -83.09 -43.34 16.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.955 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.471 HG12 ' HZ ' ' A' ' 66' ' ' PHE . 3.0 tt -65.97 -28.12 42.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.724 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -77.62 -30.81 52.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.724 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.79 -34.09 57.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.936 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -80.37 -49.27 11.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.89 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.483 ' O ' HD13 ' A' ' 58' ' ' ILE . 4.0 tmt_? -52.34 -28.86 20.99 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.469 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -84.06 -53.58 5.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.283 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.11 -24.74 67.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.876 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.579 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -87.06 -59.76 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 0.0 111.702 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.483 HD13 ' O ' ' A' ' 54' ' ' ARG . 1.7 mp -55.43 -42.5 67.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.027 -179.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.439 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 1.1 mttt -50.02 -48.95 52.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.468 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.439 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 22.1 p90 -176.27 88.26 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 121.126 0.488 . . . . 0.0 111.169 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.579 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 6.6 t -174.08 -99.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.622 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -132.34 64.63 1.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.94 0.4 . . . . 0.0 111.238 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.48 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 9.1 pt-20 -53.47 -33.93 56.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.302 179.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.598 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 60.8 mt-30 -69.53 -20.61 63.69 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.923 0.392 . . . . 0.0 111.063 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -74.24 -18.63 60.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.338 0.589 . . . . 0.0 109.506 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.471 ' HZ ' HG12 ' A' ' 50' ' ' ILE . 13.0 t80 -87.2 -46.91 9.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.15 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.598 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.6 OUTLIER -68.4 -18.86 64.55 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.744 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -72.25 -57.63 4.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.867 -1.06 . . . . 0.0 108.998 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -65.53 -28.84 69.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.677 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.714 HD13 HD13 ' A' ' 96' ' ' LEU . 7.9 mt -65.26 -50.83 64.25 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.672 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.6 mttt -54.08 -40.39 67.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.479 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.11 -43.37 57.82 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.108 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.639 ' O ' HG12 ' A' ' 77' ' ' VAL . 14.4 tp -58.35 -42.58 87.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.51 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -58.69 -51.55 69.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.811 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.91 -25.79 65.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.173 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.405 ' HG2' HE22 ' A' ' 81' ' ' GLN . 21.6 mttm -82.07 -51.99 7.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.812 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.7 HG21 ' HB2' ' A' ' 86' ' ' TRP . 2.9 p -61.94 -36.74 75.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.829 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.88 -53.19 59.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.907 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.2 mm -61.18 -91.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.744 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -160.94 106.94 1.42 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.744 0.306 . . . . 0.0 110.968 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.405 HE22 ' HG2' ' A' ' 76' ' ' LYS . 2.1 mt-30 -169.72 -68.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.063 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.592 ' HB2' ' HB2' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -131.34 56.44 1.8 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.004 -179.696 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.2 -30.63 66.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.033 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -71.27 -37.02 71.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.592 ' HB2' ' HB2' ' A' ' 82' ' ' LEU . 6.3 t80 -54.91 -48.36 73.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.995 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.7 ' HB2' HG21 ' A' ' 77' ' ' VAL . 10.9 t-105 -55.83 -47.21 77.62 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.336 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -63.82 -36.59 84.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.922 0.391 . . . . 0.0 110.32 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.0 mt -77.98 -18.2 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.483 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 85' ' ' PHE . 14.7 t -84.53 -36.43 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.935 -179.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.46 HG23 HD23 ' A' ' 116' ' ' LEU . 11.2 p -81.23 -38.57 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.226 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -59.41 -45.77 90.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.557 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -3.84 0.79 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.404 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 85.73 -28.52 4.88 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.964 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.546 HD12 HG13 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -55.02 134.28 18.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.853 0.326 . . . . 0.0 110.727 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.489 ' HB ' HD13 ' A' ' 116' ' ' LEU . 1.3 p -125.99 168.15 14.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.793 HD12 ' HG3' ' A' ' 111' ' ' GLU . 0.1 OUTLIER -51.76 169.85 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.246 179.72 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.55 ' O ' HG11 ' A' ' 107' ' ' VAL . 1.5 mp -71.95 119.3 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.481 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.507 ' HB ' ' HB2' ' A' ' 101' ' ' GLU . 0.2 OUTLIER -104.83 148.19 26.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.977 0.418 . . . . 0.0 112.083 -179.602 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.563 ' HG3' ' H ' ' A' ' 107' ' ' VAL . 22.9 tttt -25.91 -88.29 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.19 -0.914 . . . . 0.0 113.394 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.525 ' C ' ' H ' ' A' ' 102' ' ' ALA . 3.4 pt-20 -67.31 -7.22 22.84 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.507 ' HB2' ' HB ' ' A' ' 98' ' ' THR . 2.7 tp10 -68.3 14.84 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.788 0.328 . . . . 0.0 111.241 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.525 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -128.35 -60.01 1.14 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.82 -45.79 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.706 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 176.72 45.96 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.761 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.4 t -119.68 134.59 55.17 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.201 0.524 . . . . 0.0 111.712 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.509 ' HA ' ' HG3' ' A' ' 99' ' ' LYS . 65.4 m -65.53 139.68 58.49 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.415 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.563 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 5.1 t -143.13 134.47 23.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.39 179.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.39 149.96 15.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.524 -178.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' ' 113' ' ' LYS . . . -81.59 -11.97 58.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.948 178.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.472 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 3.2 tt0 -85.08 -16.41 40.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.184 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.793 ' HG3' HD12 ' A' ' 96' ' ' LEU . 6.7 tt0 -84.01 -47.11 11.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.347 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.493 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.9 -41.99 12.82 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -178.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 109' ' ' ALA . 16.6 mttt -85.16 -43.3 13.96 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -177.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.472 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 2.0 tmtp? -67.45 -31.77 72.17 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -178.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -75.55 -47.76 25.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.68 0.276 . . . . 0.0 111.731 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.489 HD13 ' HB ' ' A' ' 95' ' ' THR . 1.5 mp -104.72 66.87 0.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 111.094 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 179.781 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.562 HD22 ' H ' ' A' ' 6' ' ' ALA . 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.254 0 CA-C-O 120.489 0.185 . . . . 0.0 110.909 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.439 ' HD2' ' HE2' ' A' ' 45' ' ' LYS . 69.0 Cg_exo -51.12 -30.56 32.44 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.466 2.111 . . . . 0.0 112.56 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.562 ' H ' HD22 ' A' ' 4' ' ' ASN . . . -66.41 -37.8 86.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.984 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.455 ' O ' HG22 ' A' ' 11' ' ' VAL . 30.4 mt-10 -76.04 -46.29 30.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -60.98 -30.34 70.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.623 ' O ' HG22 ' A' ' 13' ' ' VAL . 1.1 t80 -76.69 -48.3 19.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.63 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -59.91 -35.16 74.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.243 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 7' ' ' GLU . 31.6 m -79.17 -43.53 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.347 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.424 ' N ' HG23 ' A' ' 11' ' ' VAL . 0.8 OUTLIER -57.68 -28.89 64.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.258 179.846 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 9' ' ' PHE . 20.6 m -94.75 -2.43 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.831 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -118.42 44.19 2.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.701 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -116.2 -48.41 2.72 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.714 0.292 . . . . 0.0 110.88 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HG2' ' HD2' ' A' ' 17' ' ' LYS . 0.2 OUTLIER 172.3 -46.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.019 -179.7 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 10.5 mttt -152.23 154.84 36.56 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.822 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 17' ' ' LYS . . . 169.6 -22.62 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.37 -179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m 70.87 118.14 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.547 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -54.72 -35.62 63.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.074 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -57.83 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.778 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.04 -49.99 70.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.734 0.302 . . . . 0.0 111.481 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.563 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -60.88 -37.62 82.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.293 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.9 p -66.62 -52.59 43.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.555 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -53.85 -48.24 70.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.597 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -59.13 -48.35 81.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.951 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -56.85 -49.03 76.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.14 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.1 tp -61.83 -36.41 73.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.304 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.67 -45.91 81.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.864 0.364 . . . . 0.0 110.178 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -58.81 -45.45 89.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.958 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.1 mt -57.9 -50.28 78.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.434 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.56 ' HA ' HD12 ' A' ' 35' ' ' LEU . 34.0 mt-10 -53.77 -45.47 70.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.718 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -58.78 -46.4 87.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.265 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -55.8 -31.92 63.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.7 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 32' ' ' GLU . 2.8 mt -82.11 -19.0 40.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.776 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -75.25 -0.04 18.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.058 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -142.65 134.05 26.33 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.036 0.446 . . . . 0.0 110.615 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -83.52 114.79 21.74 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.63 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -165.08 140.29 5.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.696 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.512 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 2.4 m -69.07 -49.76 23.74 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.606 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.512 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 17.3 Cg_exo -67.01 -13.89 41.6 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.364 2.043 . . . . 0.0 112.281 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -86.11 -48.27 8.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.005 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.445 ' HE1' HD23 ' A' ' 35' ' ' LEU . 11.2 m-85 -63.83 -37.55 87.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.751 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.9 ttt -53.3 -31.22 42.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.776 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.439 ' HE2' ' HD2' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -74.9 -56.27 4.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.319 179.624 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 49' ' ' CYS . 0.7 OUTLIER -43.86 -49.1 8.38 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.869 178.822 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 70.1 mt -55.87 -52.04 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.892 0.377 . . . . 0.0 110.479 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.08 -18.53 65.38 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.307 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 46' ' ' SER . 1.8 m -78.71 -42.41 28.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.869 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.428 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -68.0 -28.01 39.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.226 179.064 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -77.44 -30.18 53.22 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.769 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.76 -36.25 37.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.376 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.78 -47.13 19.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.453 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.448 ' O ' HG23 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -46.58 -46.09 19.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.713 179.219 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -68.34 -44.87 74.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.529 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.85 -28.35 69.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.46 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.596 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.23 -55.63 3.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.207 -179.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.512 HG13 ' H ' ' A' ' 59' ' ' LYS . 1.1 pt -54.6 -41.55 55.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.507 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.512 ' H ' HG13 ' A' ' 58' ' ' ILE . 48.3 mttt -50.67 -56.29 12.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.727 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -179.68 79.13 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.855 0.359 . . . . 0.0 111.451 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.596 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -159.54 -100.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.358 179.677 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -132.74 63.2 1.64 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.991 0.424 . . . . 0.0 111.111 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -54.13 -35.08 61.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.532 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.548 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 38.2 mt-30 -74.27 -22.71 59.19 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.776 0.322 . . . . 0.0 111.219 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 65' ' ' ARG . 1.5 ttm-85 -71.96 -19.5 61.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.128 0.489 . . . . 0.0 109.937 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.437 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -88.25 -43.22 11.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.516 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.548 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 1.8 p30 -72.23 -21.72 61.35 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -67.14 -58.11 5.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.784 -1.098 . . . . 0.0 108.796 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -67.88 -28.91 67.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.764 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.832 HD13 HD13 ' A' ' 96' ' ' LEU . 3.6 mt -64.17 -46.99 81.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.491 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -56.43 -37.9 70.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.434 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.37 -43.67 49.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.781 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.676 HD11 HD11 ' A' ' 82' ' ' LEU . 21.5 tp -59.8 -41.42 91.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.575 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -52.14 66.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.855 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.438 ' O ' HD12 ' A' ' 79' ' ' ILE . 12.1 mt-10 -59.12 -27.42 65.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -81.28 -54.73 5.24 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.569 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.673 HG12 ' O ' ' A' ' 73' ' ' LEU . 4.8 p -59.87 -30.06 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.911 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.26 -52.09 62.47 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.454 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.438 HD12 ' O ' ' A' ' 75' ' ' GLU . 3.9 mt -62.14 -88.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.748 179.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -160.57 112.01 1.89 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.755 0.312 . . . . 0.0 111.168 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.55 ' HB3' HD23 ' A' ' 82' ' ' LEU . 3.5 mt-30 -171.28 -67.6 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.676 HD11 HD11 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -132.7 56.56 1.84 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.907 -179.888 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -57.56 -29.03 64.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.292 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -75.23 -35.94 61.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.139 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.669 ' O ' HG22 ' A' ' 89' ' ' VAL . 25.7 t80 -63.93 -28.85 70.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.136 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 42.5 t-105 -77.59 -51.54 10.49 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.844 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -61.3 -19.18 61.47 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.131 0.491 . . . . 0.0 109.933 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.438 ' O ' ' HG2' ' A' ' 91' ' ' GLN . 34.4 mt -85.07 -60.88 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.388 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.669 HG22 ' O ' ' A' ' 85' ' ' PHE . 5.3 m -49.76 -31.59 6.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.48 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 91' ' ' GLN . 8.7 p -73.01 -52.93 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.363 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.515 ' N ' HG13 ' A' ' 90' ' ' VAL . 9.5 pt20 -56.94 -37.1 71.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.829 178.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.67 -5.46 1.28 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.688 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 84.95 -21.5 11.44 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.74 -0.743 . . . . 0.0 114.132 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.453 HD11 HG12 ' A' ' 89' ' ' VAL . 20.1 pt -64.43 137.39 24.96 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 117.853 0.827 . . . . 0.0 110.631 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.505 ' HB ' HD13 ' A' ' 116' ' ' LEU . 12.8 p -127.68 167.9 15.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.531 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.832 HD13 HD13 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -50.5 170.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.511 179.713 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.459 HG22 ' O ' ' A' ' 97' ' ' ILE . 1.2 mp -66.39 114.18 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.017 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.7 142.4 32.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.031 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.635 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -46.59 -42.51 16.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.983 179.876 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.11 -29.83 0.67 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.596 -179.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.445 ' HB3' ' HB ' ' A' ' 58' ' ' ILE . 34.9 mt-10 -92.41 -52.12 4.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.521 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.22 -96.87 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.9 t -120.87 -1.28 9.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.862 0.363 . . . . 0.0 111.026 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.445 ' C ' ' H ' ' A' ' 106' ' ' SER . . . 91.16 121.12 2.48 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.884 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.589 ' N ' ' HB2' ' A' ' 99' ' ' LYS . 3.4 m 66.69 -15.36 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.721 ' O ' HG23 ' A' ' 107' ' ' VAL . 3.6 m -92.52 91.15 7.46 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 106' ' ' SER . 1.1 t 172.78 131.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.507 178.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.432 HG23 ' H ' ' A' ' 111' ' ' GLU . 12.3 t -65.01 150.71 47.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.341 0.591 . . . . 0.0 112.347 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.36 -11.69 59.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.412 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.552 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 28.4 mt-10 -82.3 -17.19 46.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.367 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.538 ' HG3' HD12 ' A' ' 96' ' ' LEU . 8.9 tt0 -85.37 -50.68 7.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.201 -179.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.53 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.62 -37.28 16.93 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -178.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.445 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -87.22 -46.15 9.99 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -177.65 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.552 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -66.4 -28.91 68.99 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.352 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -71.42 -47.58 55.02 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.505 HD13 ' HB ' ' A' ' 95' ' ' THR . 1.4 mp -92.2 -18.01 24.06 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -178.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 113' ' ' LYS . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.294 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.19 164.55 5.01 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.646 2.231 . . . . 0.0 112.321 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 t -122.95 140.15 47.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.035 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.409 HD22 ' H ' ' A' ' 6' ' ' ALA . 1.8 t30 -114.32 129.82 24.54 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.59 -34.7 84.18 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.513 2.142 . . . . 0.0 112.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.409 ' H ' HD22 ' A' ' 4' ' ' ASN . . . -71.22 -37.05 72.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.205 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.505 ' O ' HG23 ' A' ' 11' ' ' VAL . 25.0 mt-10 -69.71 -47.28 63.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.95 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -61.99 -34.42 76.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.822 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.517 ' O ' HG22 ' A' ' 13' ' ' VAL . 3.4 t80 -70.24 -47.46 61.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.642 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -59.11 -35.48 73.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.054 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 7' ' ' GLU . 76.0 t -76.61 -44.12 34.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.186 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -29.69 67.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.237 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 9' ' ' PHE . 27.8 m -94.16 -4.38 10.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.483 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.57 40.78 3.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -116.06 -47.35 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.983 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 4.8 pttt -175.87 -40.62 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.575 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 94.8 mttt -154.13 157.13 38.45 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.181 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.484 ' C ' ' H ' ' A' ' 20' ' ' PHE . . . -169.49 -31.94 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.178 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m 70.45 -21.75 0.18 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.703 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.484 ' H ' ' C ' ' A' ' 18' ' ' ALA . 6.9 t80 67.55 55.75 0.62 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.105 0.479 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -141.39 -57.78 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.72 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.14 -43.19 74.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.62 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.77 -31.02 70.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.951 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.4 m -77.31 -57.89 3.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.577 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.408 ' O ' HG22 ' A' ' 28' ' ' ILE . 7.5 m-80 -51.28 -44.16 61.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.757 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -63.34 -42.91 98.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.313 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.5 HD13 ' HD2' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -57.33 -47.43 81.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.595 179.462 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.408 HG22 ' O ' ' A' ' 25' ' ' ASN . 1.1 tp -63.66 -34.01 65.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.679 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -65.24 -44.46 88.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.808 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -60.88 -44.35 97.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.775 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.447 HD11 ' HB3' ' A' ' 49' ' ' CYS . 94.5 mt -56.76 -50.85 73.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.092 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.541 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -53.6 -44.46 69.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.698 179.475 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -59.96 -45.64 91.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.308 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -56.42 -32.17 64.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.606 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 32' ' ' GLU . 3.1 mt -82.17 -18.61 42.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.74 -49.62 75.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.75 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -49.82 -61.91 1.86 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.209 179.74 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 37' ' ' THR . 71.2 m-20 92.35 59.99 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.905 0.753 . . . . 0.0 110.788 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.4 ' HB2' ' HD2' ' A' ' 42' ' ' TYR . 33.0 mt-10 -131.7 163.08 28.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.617 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.545 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 24.4 m -68.72 -48.96 30.1 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.904 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.545 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 16.7 Cg_exo -67.52 -9.5 25.58 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.26 1.973 . . . . 0.0 112.389 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.4 ' HD2' ' HB2' ' A' ' 39' ' ' GLU . 2.3 m-85 -86.92 -26.12 24.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -73.81 -23.74 59.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.77 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -35.89 80.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.631 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -71.3 -33.95 70.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.667 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.0 m -66.71 -50.38 63.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.395 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.419 HD11 HG21 ' A' ' 88' ' ' ILE . 14.4 mt -58.37 -43.64 86.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.49 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.7 -25.05 67.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.33 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.447 ' HB3' HD11 ' A' ' 31' ' ' ILE . 5.3 m -80.57 -39.46 27.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.355 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.478 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -72.62 -27.06 24.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.634 179.559 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -77.05 -30.83 55.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.006 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.34 -34.51 31.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.065 0.46 . . . . 0.0 110.604 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.5 ' HD2' HD13 ' A' ' 27' ' ' LEU . 1.7 t80 -78.11 -48.36 16.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.835 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 3.5 tmm_? -51.67 -42.81 62.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.475 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -68.59 -46.45 69.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.75 0.309 . . . . 0.0 111.423 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -64.24 -26.43 68.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.144 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.621 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -84.33 -56.3 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.63 HG22 HG13 ' A' ' 97' ' ' ILE . 1.3 pp -56.1 -41.62 69.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.616 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.484 ' H ' HG13 ' A' ' 58' ' ' ILE . 11.9 mmtt -50.44 -56.32 12.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.721 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -179.2 77.77 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.756 0.313 . . . . 0.0 111.351 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.621 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -158.82 -99.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.449 179.692 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -131.54 64.02 1.6 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.931 0.396 . . . . 0.0 111.11 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -53.01 -36.45 60.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.353 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.547 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 6.1 mm-40 -71.86 -23.84 61.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.879 0.371 . . . . 0.0 111.111 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.3 ttt85 -72.61 -19.44 61.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.272 0.558 . . . . 0.0 109.66 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -87.31 -45.29 10.72 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.561 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.547 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 1.6 p30 -70.46 -18.86 62.99 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -73.47 -58.21 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.042 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -65.29 -28.58 69.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.408 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.44 HD13 ' CD1' ' A' ' 96' ' ' LEU . 9.7 mt -66.73 -47.11 73.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.342 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -56.01 -42.13 75.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.519 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.65 -43.68 54.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.263 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.694 ' O ' HG13 ' A' ' 77' ' ' VAL . 8.0 tp -57.47 -49.38 76.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -55.86 -51.85 66.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.035 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.548 ' O ' HD12 ' A' ' 79' ' ' ILE . 7.0 mt-10 -68.9 -25.12 64.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.318 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -75.27 -53.55 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.247 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.694 HG13 ' O ' ' A' ' 73' ' ' LEU . 2.4 m -63.29 -27.94 44.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.929 0.395 . . . . 0.0 110.554 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.66 -51.17 59.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.256 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.548 HD12 ' O ' ' A' ' 75' ' ' GLU . 3.5 mt -92.89 53.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.261 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.556 ' HD3' HD21 ' A' ' 82' ' ' LEU . 48.7 tttt -155.75 -82.7 0.07 Allowed 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.032 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.414 ' H ' ' HB3' ' A' ' 80' ' ' LYS . 2.8 mt-30 -176.95 -35.94 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.574 0.226 . . . . 0.0 111.38 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.651 HD12 HG12 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -74.08 37.53 0.1 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.679 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.404 ' HA ' HG23 ' A' ' 77' ' ' VAL . 1.0 OUTLIER -64.56 -15.52 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.061 0.458 . . . . 0.0 110.263 179.236 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -66.51 -30.87 71.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.448 ' O ' HG23 ' A' ' 89' ' ' VAL . 25.7 t80 -57.56 -33.43 68.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.534 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.506 ' O ' ' HB ' ' A' ' 90' ' ' VAL . 64.6 t-105 -77.24 -44.83 28.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.353 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -63.0 -21.62 66.28 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.419 HG21 HD11 ' A' ' 47' ' ' ILE . 52.2 mt -85.89 -62.25 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.249 179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 85' ' ' PHE . 60.8 t -50.75 -29.59 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.344 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.506 ' HB ' ' O ' ' A' ' 86' ' ' TRP . 1.2 t -82.05 -50.61 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.579 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.47 ' N ' HG12 ' A' ' 90' ' ' VAL . 9.2 mt-30 -52.8 -29.68 28.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.47 9.1 1.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.309 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 71.94 7.14 65.57 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.961 -0.638 . . . . 0.0 113.007 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.7 mt -81.56 143.1 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.786 0.327 . . . . 0.0 111.192 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.0 t -129.81 167.92 17.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.67 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.546 HD23 ' HG3' ' A' ' 111' ' ' GLU . 0.3 OUTLIER -62.36 -177.6 0.14 Allowed 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.33 0.586 . . . . 0.0 111.421 -179.797 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.769 HG22 HG21 ' A' ' 107' ' ' VAL . 1.7 mp -67.06 111.77 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.112 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.401 HG23 ' CB ' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -96.26 141.22 29.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.36 -179.448 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.454 ' C ' ' HA ' ' A' ' 105' ' ' SER . 0.1 OUTLIER -47.15 -59.87 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.45 179.723 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.434 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 1.7 tm-20 -63.81 -29.92 71.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.216 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.0 -5.32 2.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.01 0.433 . . . . 0.0 110.619 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.86 -164.05 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.522 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.7 t -113.07 79.62 1.26 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.981 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 147.21 1.86 0.54 Allowed Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.465 -0.874 . . . . 0.0 113.082 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.454 ' HA ' ' C ' ' A' ' 99' ' ' LYS . 47.7 m 46.0 64.35 1.5 Allowed 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.909 0.355 . . . . 0.0 111.273 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.647 ' O ' HG23 ' A' ' 107' ' ' VAL . 0.2 OUTLIER -123.87 89.19 3.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.844 -179.717 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.769 HG21 HG22 ' A' ' 97' ' ' ILE . 1.0 OUTLIER -173.99 131.73 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.359 178.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.21 153.17 44.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.928 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.474 ' HB1' ' HD2' ' A' ' 113' ' ' LYS . . . -66.82 -13.83 61.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.569 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.604 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 4.0 tt0 -84.07 -17.56 39.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.44 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.546 ' HG3' HD23 ' A' ' 96' ' ' LEU . 8.0 tt0 -84.58 -49.72 8.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.144 -179.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.401 ' CB ' HG23 ' A' ' 98' ' ' THR . . . -87.68 -39.02 15.35 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -178.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.474 ' HD2' ' HB1' ' A' ' 109' ' ' ALA . 17.3 mttt -86.55 -49.01 7.86 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.87 0.692 . . . . 0.0 112.87 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.604 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 5.9 tmtm? -60.18 -30.94 69.67 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -178.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.509 ' CD2' HD22 ' A' ' 96' ' ' LEU . 1.9 m-85 -74.01 -34.7 64.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.757 0.313 . . . . 0.0 111.186 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 115' ' ' PHE . 3.7 mp -130.27 83.46 2.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.985 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -100.51 149.74 36.37 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.031 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -54.76 0.2 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.485 2.123 . . . . 0.0 112.402 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -92.11 151.26 20.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 CA-C-O 120.158 -0.245 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.24 -179.42 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.717 2.278 . . . . 0.0 112.271 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.0 m 33.31 60.46 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.858 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -131.61 66.79 78.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.788 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -84.92 -45.4 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.782 2.321 . . . . 0.0 113.131 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.07 -41.61 86.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.629 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.45 -45.02 66.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.218 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -65.72 -24.66 67.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.93 0.395 . . . . 0.0 110.831 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.683 ' O ' HG22 ' A' ' 13' ' ' VAL . 10.5 t80 -79.63 -52.17 8.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -62.61 -30.94 71.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.386 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 9.9 p -79.44 -43.58 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.231 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.426 ' N ' HG13 ' A' ' 11' ' ' VAL . 2.3 tt -58.84 -27.15 64.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 9' ' ' PHE . 6.4 m -95.53 -7.77 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.33 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -108.65 -5.2 16.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.656 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 13.4 mm100 -116.44 -11.01 11.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.613 0.244 . . . . 0.0 111.472 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.77 120.83 0.18 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -70.11 83.58 0.52 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.892 0.377 . . . . 0.0 110.978 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.52 26.93 2.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.633 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 m 74.97 117.46 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.619 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -59.49 -32.94 70.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.122 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -51.85 -56.31 14.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.896 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -55.78 -49.2 73.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.757 0.313 . . . . 0.0 111.538 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.448 ' HB1' ' CD1' ' A' ' 9' ' ' PHE . . . -61.54 -38.83 88.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.236 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.4 p -64.57 -51.6 61.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.588 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.405 ' O ' HG22 ' A' ' 28' ' ' ILE . 4.7 m-80 -54.41 -46.88 73.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.685 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -59.67 -46.75 88.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.745 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -47.42 82.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.952 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.471 ' HA ' HD12 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -62.61 -35.25 69.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.903 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.78 -45.24 83.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.982 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -59.13 -44.72 92.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.907 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.471 HD12 ' HA ' ' A' ' 28' ' ' ILE . 68.6 mt -57.62 -48.97 82.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.233 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.564 ' HA ' HD12 ' A' ' 35' ' ' LEU . 38.6 mt-10 -55.32 -42.59 73.97 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.432 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -59.92 -44.78 94.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.948 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -56.68 -30.31 63.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.618 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 32' ' ' GLU . 2.3 mt -73.95 -17.91 60.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.872 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -69.3 -6.57 30.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.738 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.98 112.57 16.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.61 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -79.19 58.73 2.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.211 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.402 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 4.4 mm-40 -111.82 165.93 11.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.805 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.495 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 19.3 m -81.05 -50.26 0.99 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.755 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 40' ' ' THR . 61.9 Cg_endo -72.91 -15.06 26.52 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.129 1.886 . . . . 0.0 112.534 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -81.67 -32.23 31.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.425 ' CZ ' HD23 ' A' ' 35' ' ' LEU . 3.6 m-85 -81.33 -25.34 36.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.976 0.417 . . . . 0.0 110.76 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 39.0 mtt -62.56 -32.18 73.11 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.968 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -75.84 -28.21 58.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.304 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 m -62.65 -49.2 76.1 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.513 ' O ' HG22 ' A' ' 50' ' ' ILE . 9.8 mt -60.79 -38.97 80.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.634 178.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.29 -27.11 68.8 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.13 178.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 79.6 m -80.54 -39.67 27.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.26 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 47' ' ' ILE . 3.8 tt -70.23 -27.7 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.664 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -74.83 -32.75 62.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.59 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.56 -35.07 58.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.15 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -78.67 -49.12 13.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.961 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.556 ' O ' ' HB ' ' A' ' 58' ' ' ILE . 1.0 OUTLIER -53.21 -27.48 22.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.276 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -85.52 -55.17 4.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.763 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -65.89 -26.43 67.62 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.579 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.6 -60.46 1.99 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.556 ' HB ' ' O ' ' A' ' 54' ' ' ARG . 1.8 mp -55.48 -41.14 61.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.262 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.482 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 62.5 mttt -51.52 -47.84 63.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.504 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.482 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 17.4 p90 -172.27 86.95 0.08 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.09 0.472 . . . . 0.0 111.273 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.579 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -174.4 -98.08 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.508 179.692 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' A' ' 65' ' ' ARG . 31.0 mt-10 -133.84 65.0 1.59 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.13 -179.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.473 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 4.7 pt-20 -53.11 -34.81 58.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.28 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.593 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 37.1 mt-30 -64.71 -19.0 65.51 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.908 0.385 . . . . 0.0 111.155 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.419 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -75.29 -18.33 60.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.911 179.689 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.459 ' CZ ' HG12 ' A' ' 50' ' ' ILE . 6.6 t80 -87.29 -48.47 7.98 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.782 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.593 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.3 OUTLIER -63.88 -18.38 64.12 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 177.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -75.43 -57.5 3.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.251 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -65.01 -29.73 70.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.317 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.536 HD13 HD13 ' A' ' 96' ' ' LEU . 7.6 mt -66.76 -51.18 58.85 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.685 0.279 . . . . 0.0 110.47 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -53.9 -42.19 68.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.952 0.406 . . . . 0.0 110.637 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.82 -44.06 64.55 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.868 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.457 HD11 HD13 ' A' ' 82' ' ' LEU . 10.1 tp -59.94 -36.09 76.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.353 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.529 ' HA ' HG12 ' A' ' 77' ' ' VAL . 3.5 tm0? -64.88 -54.81 25.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.413 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.44 ' O ' HD12 ' A' ' 79' ' ' ILE . 19.1 mt-10 -53.76 -33.09 54.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.504 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -81.51 -57.42 3.48 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.164 0.507 . . . . 0.0 110.627 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.687 HG21 ' HB2' ' A' ' 86' ' ' TRP . 9.6 p -52.14 -31.74 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.421 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -55.86 -53.35 57.83 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.562 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.44 HD12 ' O ' ' A' ' 75' ' ' GLU . 3.7 mt -62.95 -89.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.962 179.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.03 172.13 16.22 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.459 ' O ' HD23 ' A' ' 82' ' ' LEU . 1.5 mt-30 66.96 118.28 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.653 HD11 ' HB ' ' A' ' 77' ' ' VAL . 0.2 OUTLIER 80.91 11.15 0.91 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.766 0.826 . . . . 0.0 110.378 179.534 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.442 ' HA ' ' CG2' ' A' ' 77' ' ' VAL . 15.1 t-20 -54.64 -42.43 71.24 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.944 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -62.12 -31.86 72.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.11 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.467 ' HB3' HD12 ' A' ' 82' ' ' LEU . 11.2 t80 -55.93 -39.18 71.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.028 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.687 ' HB2' HG21 ' A' ' 77' ' ' VAL . 53.5 t-105 -76.01 -42.8 46.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.594 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.46 -27.82 67.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.043 0.449 . . . . 0.0 109.929 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 54.8 mt -86.04 -59.85 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.517 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.525 ' HA ' HD12 ' A' ' 94' ' ' ILE . 18.6 t -46.81 -34.92 2.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.498 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 91' ' ' GLN . 1.1 t -76.62 -48.55 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.337 . . . . 0.0 110.153 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.453 ' N ' HG12 ' A' ' 90' ' ' VAL . 45.2 tt0 -55.03 -40.21 69.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.775 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.92 -1.65 3.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.18 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.05 5.58 87.08 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.942 -0.647 . . . . 0.0 113.316 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 89' ' ' VAL . 39.8 mt -60.84 126.7 19.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 117.11 0.455 . . . . 0.0 110.568 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.672 ' HA ' HD11 ' A' ' 116' ' ' LEU . 35.7 p -97.93 -166.48 1.38 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.184 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.569 HD12 ' HG3' ' A' ' 111' ' ' GLU . 0.5 OUTLIER -103.19 170.39 7.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.947 -179.237 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.573 HG22 HG21 ' A' ' 107' ' ' VAL . 1.3 mp -67.76 103.25 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.1 m -99.76 140.2 34.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.054 0.455 . . . . 0.0 111.994 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.551 ' HB3' ' N ' ' A' ' 107' ' ' VAL . 6.4 ptmt -49.13 -54.93 14.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.923 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.422 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 47.1 tt0 -57.39 -29.99 64.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.494 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -109.1 22.16 16.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.143 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.63 -95.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.265 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.6 t -137.27 -18.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.569 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 174.1 57.59 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.194 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.432 ' HA ' ' HB2' ' A' ' 99' ' ' LYS . 4.4 m 51.6 46.29 26.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.808 0.337 . . . . 0.0 111.151 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.43 ' O ' HG23 ' A' ' 107' ' ' VAL . 1.3 m -123.39 89.12 3.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.352 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.573 HG21 HG22 ' A' ' 97' ' ' ILE . 1.2 t 174.41 146.6 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.998 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.39 150.18 27.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.097 0.475 . . . . 0.0 111.675 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.18 -13.12 58.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.308 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 15.1 mt-10 -63.12 -21.91 66.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.895 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.569 ' HG3' HD12 ' A' ' 96' ' ' LEU . 6.1 tt0 -85.32 -51.06 6.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.912 0.387 . . . . 0.0 111.187 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.509 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -67.77 -24.86 65.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.218 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -87.59 -52.1 5.52 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 2.9 tmtp? -64.72 -31.35 72.53 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -178.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.4 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . 15.3 m-85 -78.28 -47.35 18.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.59 0.233 . . . . 0.0 111.556 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.672 HD11 ' HA ' ' A' ' 95' ' ' THR . 1.5 mt -91.27 37.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.927 0.394 . . . . 0.0 110.8 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.2 150.53 49.68 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.82 -176.0 1.36 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.469 2.113 . . . . 0.0 112.342 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -148.71 158.74 44.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.972 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.38 149.26 47.43 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.661 2.24 . . . . 0.0 112.265 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.6 p -137.79 146.33 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.023 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.415 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.8 t30 -108.64 134.71 20.2 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 4' ' ' ASN . 20.1 Cg_exo -66.05 -41.68 12.79 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.579 2.186 . . . . 0.0 112.384 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.9 -43.25 75.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.355 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.474 ' O ' HG23 ' A' ' 11' ' ' VAL . 26.7 tt0 -66.06 -46.3 78.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.134 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -63.91 -33.21 75.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.981 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.561 ' O ' HG22 ' A' ' 13' ' ' VAL . 4.8 t80 -70.4 -50.49 38.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -59.45 -37.97 79.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.254 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 7' ' ' GLU . 86.6 t -72.01 -44.63 65.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.384 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.92 -31.18 68.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.377 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 9' ' ' PHE . 24.5 m -94.76 -9.58 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.616 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -90.51 -57.04 2.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.812 0.339 . . . . 0.0 111.387 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -55.32 -27.81 49.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.341 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.64 132.02 0.11 Allowed 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.99 91.8 0.22 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.182 0.515 . . . . 0.0 110.444 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.19 -54.53 39.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.301 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 t -174.07 -29.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.045 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.9 t80 75.82 -56.41 0.59 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.242 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -52.88 -46.37 67.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.324 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -61.43 -48.17 82.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.45 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -64.01 -33.77 76.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.711 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.619 ' O ' HD12 ' A' ' 28' ' ' ILE . 50.2 m -65.84 -53.36 41.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.127 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -51.93 -42.6 62.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.472 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -65.63 -44.56 86.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.302 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.17 -44.05 78.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.772 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.619 HD12 ' O ' ' A' ' 24' ' ' SER . 1.6 mp -65.95 -43.15 92.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.661 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -43.05 93.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.437 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -61.0 -50.15 74.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.211 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.5 mt -57.04 -49.51 79.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.583 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -56.17 -36.04 67.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.763 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -67.31 -47.28 71.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.301 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -59.52 -24.14 63.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.792 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.523 HD21 HD13 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -61.9 -50.23 73.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.709 179.745 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -51.86 -18.61 1.36 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.195 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.44 99.84 11.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.485 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -77.2 45.81 0.47 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.451 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.528 ' HB2' ' HB2' ' A' ' 42' ' ' TYR . 15.4 mm-40 -102.74 146.36 28.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 110.781 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.505 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.2 m -62.62 -50.37 78.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.103 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 40' ' ' THR . 59.9 Cg_endo -71.75 -18.78 28.26 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.108 1.872 . . . . 0.0 112.738 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.528 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 9.0 m-85 -79.01 -41.14 29.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.108 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -65.55 -17.63 64.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 55.1 mtt -74.53 -26.94 60.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.322 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -73.13 -33.73 65.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.875 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -50.99 60.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.054 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.551 ' O ' HG22 ' A' ' 50' ' ' ILE . 13.8 mt -59.19 -41.85 85.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.137 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.98 -26.63 67.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.941 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -81.44 -44.42 17.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.497 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.551 HG22 ' O ' ' A' ' 47' ' ' ILE . 11.6 tt -66.02 -27.62 41.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.775 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -79.0 -31.0 44.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.788 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.13 -37.67 45.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.414 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -75.72 -48.39 22.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.636 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.536 ' O ' HG23 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -49.01 -46.43 44.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.3 179.64 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -66.86 -47.39 72.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.661 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.22 -31.35 71.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.657 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.564 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -83.04 -54.07 5.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.558 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.536 HG23 ' O ' ' A' ' 54' ' ' ARG . 1.7 pp -57.48 -43.51 83.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.984 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.478 ' H ' HG13 ' A' ' 58' ' ' ILE . 55.1 mttt -49.46 -52.27 30.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.533 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.447 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 19.7 p90 -176.44 88.52 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.078 0 CA-C-O 121.14 0.495 . . . . 0.0 111.298 178.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.564 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 3.3 t -173.56 -96.77 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.752 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' A' ' 65' ' ' ARG . 36.1 mt-10 -135.56 64.93 1.56 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.165 -179.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.532 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 13.6 pt-20 -53.41 -34.18 56.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.294 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.582 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 55.3 mt-30 -67.47 -18.04 64.92 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.936 0.398 . . . . 0.0 111.009 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 5.8 ttt180 -74.89 -17.64 60.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.332 0.587 . . . . 0.0 109.557 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.423 ' CD2' HD13 ' A' ' 97' ' ' ILE . 15.4 t80 -86.84 -48.85 7.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.636 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.582 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.3 OUTLIER -66.55 -18.84 65.59 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.458 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -72.19 -57.96 3.81 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.123 178.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -68.68 -23.71 64.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.891 178.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.996 HD13 HD13 ' A' ' 96' ' ' LEU . 9.1 mt -67.25 -52.11 44.81 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.501 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -57.63 -42.32 83.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.718 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.51 -45.97 64.57 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.063 0.459 . . . . 0.0 111.245 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.758 ' O ' HG13 ' A' ' 77' ' ' VAL . 12.8 tp -59.77 -58.66 7.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.628 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.407 ' HA ' HE21 ' A' ' 74' ' ' GLN . 0.0 OUTLIER -48.71 -58.47 4.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.029 -179.335 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -52.98 -41.3 64.46 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.519 -178.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -66.22 -58.17 5.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.35 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.758 HG13 ' O ' ' A' ' 73' ' ' LEU . 0.9 OUTLIER -63.29 -22.98 32.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.685 -179.437 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -49.72 76.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.126 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.4 mt -69.95 54.13 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 112.964 0.728 . . . . 0.0 112.964 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 80' ' ' LYS . 0.6 OUTLIER 50.61 64.46 1.81 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 177.674 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.517 ' HB3' HD23 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -122.44 -77.27 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.999 178.634 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.523 HD13 HD21 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -136.65 62.43 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.989 0.423 . . . . 0.0 110.867 179.097 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -66.83 -24.08 66.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.232 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -53.14 -52.11 59.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.598 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.547 ' HA ' HD12 ' A' ' 88' ' ' ILE . 21.0 t80 -52.05 -42.66 63.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.555 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.528 ' HH2' HD21 ' A' ' 96' ' ' LEU . 74.6 t-105 -61.46 -40.69 95.44 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.178 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -64.43 -38.81 92.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.073 0.463 . . . . 0.0 109.902 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 85' ' ' PHE . 2.7 mt -77.8 -18.58 13.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.982 179.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.644 ' HA ' HD12 ' A' ' 94' ' ' ILE . 2.7 t -81.52 -40.59 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.164 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.1 p -76.98 -36.46 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.339 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -62.49 -48.89 77.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.61 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -10.48 4.88 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.315 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.44 30.22 14.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.949 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 89' ' ' VAL . 15.7 mt -92.54 116.44 33.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.037 0.446 . . . . 0.0 110.69 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.819 HG23 ' H ' ' A' ' 97' ' ' ILE . 11.7 t -92.78 -167.02 1.65 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.556 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.996 HD13 HD13 ' A' ' 70' ' ' LEU . 1.1 mm? -98.83 5.19 47.57 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.578 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.819 ' H ' HG23 ' A' ' 95' ' ' THR . 0.5 OUTLIER 84.72 121.17 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 O-C-N 124.132 0.895 . . . . 0.0 109.742 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.72 150.55 33.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.592 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.523 ' HB2' ' HA ' ' A' ' 105' ' ' SER . 0.0 OUTLIER -43.44 -56.7 3.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.789 179.655 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -62.4 -26.39 68.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.441 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -103.64 16.31 26.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.146 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.87 -94.48 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.274 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.9 -16.24 0.69 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.924 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 175.24 57.6 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.428 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.523 ' HA ' ' HB2' ' A' ' 99' ' ' LYS . 58.1 m 52.93 43.65 31.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.675 0.274 . . . . 0.0 111.363 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.53 ' O ' HG23 ' A' ' 107' ' ' VAL . 1.0 OUTLIER -123.89 89.01 3.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.77 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 106' ' ' SER . 0.9 OUTLIER 170.5 139.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.929 179.112 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.05 150.35 46.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 111.232 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.17 -48.46 12.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.661 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -42.2 -21.89 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.218 179.174 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.438 ' CG ' ' HB3' ' A' ' 96' ' ' LEU . 3.9 tt0 -74.26 -52.53 12.04 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.416 0.627 . . . . 0.0 109.744 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.638 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -78.76 -19.61 51.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.88 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -88.54 -48.56 7.49 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 0.5 OUTLIER -72.53 -20.3 61.37 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -178.054 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.499 ' CG ' ' HG ' ' A' ' 96' ' ' LEU . 4.9 m-85 -83.34 -47.69 11.2 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.577 HD11 ' HA ' ' A' ' 95' ' ' THR . 2.0 mp -82.33 57.65 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 111.147 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -112.36 154.9 44.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -64.88 137.45 53.36 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.444 2.096 . . . . 0.0 112.309 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -94.56 -60.59 1.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.99 -179.78 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.651 2.234 . . . . 0.0 112.326 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.1 p -165.59 137.32 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 64.69 113.2 0.03 OUTLIER Pre-proline 0 CA--C 1.53 0.208 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.913 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.99 -29.53 54.89 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.452 2.102 . . . . 0.0 112.567 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.73 -37.41 84.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.054 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 11' ' ' VAL . 22.0 mt-10 -72.17 -47.87 47.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.805 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -62.38 -29.07 70.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.654 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.43 ' O ' HG22 ' A' ' 13' ' ' VAL . 71.7 t80 -72.55 -52.42 15.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.626 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 10' ' ' ARG . 51.2 mtt180 -57.3 -34.94 69.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.006 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 7' ' ' GLU . 84.1 t -78.03 -45.96 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.004 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 mt -51.87 -32.15 30.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 9' ' ' PHE . 16.5 m -89.25 -40.16 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -82.29 56.0 3.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -116.1 -47.7 2.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.758 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.587 ' HG3' ' H ' ' A' ' 17' ' ' LYS . 22.3 pttt 179.59 -52.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.691 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.587 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 20.0 tttt -176.38 61.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.92 -2.32 57.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.055 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 m 68.64 127.47 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.983 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -62.92 -32.57 73.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.187 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -48.9 -64.91 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -52.3 -51.07 60.67 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.56 -38.85 82.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.565 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.7 m -65.9 -53.01 45.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.595 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -53.54 -49.38 67.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.529 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -56.47 -48.32 77.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -56.41 -49.15 75.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.949 179.756 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.6 mm -59.0 -43.14 88.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.594 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -62.36 -46.21 89.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.73 0.3 . . . . 0.0 110.407 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -47.87 70.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.906 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.9 mt -58.55 -48.87 84.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.58 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.619 ' HA ' HD12 ' A' ' 35' ' ' LEU . 21.2 mt-10 -54.33 -42.37 70.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.759 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -63.25 -49.49 73.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.162 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -53.22 -25.98 16.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.655 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 32' ' ' GLU . 3.4 mt -79.08 -39.18 34.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.698 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -59.36 -42.78 92.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.48 -30.75 67.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 58.96 39.48 23.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.976 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -99.98 127.73 46.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.439 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 1.2 m -54.3 -48.45 94.52 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.844 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.439 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 48.2 Cg_exo -56.28 -65.31 0.11 Allowed 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.154 1.903 . . . . 0.0 112.509 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -45.67 -30.85 1.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.43 ' HB2' ' O ' ' A' ' 40' ' ' THR . 2.0 m-85 -58.08 -38.29 76.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.811 0.339 . . . . 0.0 110.776 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.2 mtt -57.02 -25.65 58.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.509 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.23 -55.15 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.109 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 49' ' ' CYS . 0.7 OUTLIER -43.25 -47.15 6.44 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.621 178.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.404 HD13 HG12 ' A' ' 88' ' ' ILE . 34.4 mt -56.84 -50.16 76.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.096 0.474 . . . . 0.0 109.964 178.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -63.76 -18.55 64.17 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.024 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 46' ' ' SER . 73.8 m -81.97 -47.17 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.68 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -24.87 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-O 121.159 0.504 . . . . 0.0 110.1 178.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.417 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 5.6 mtt180 -77.84 -52.49 8.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.951 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.97 -33.19 70.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.872 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.414 ' HB3' ' HE1' ' A' ' 66' ' ' PHE . 4.7 t80 -72.69 -53.17 12.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.767 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -58.48 -31.12 67.54 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.759 0.314 . . . . 0.0 110.998 -179.65 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.19 -53.28 17.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.884 0.373 . . . . 0.0 110.606 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.54 -23.93 66.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.584 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.588 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.68 -58.29 2.66 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.714 0.292 . . . . 0.0 111.481 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.406 HD11 HD11 ' A' ' 97' ' ' ILE . 53.6 mt -55.34 -43.15 70.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.73 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.458 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 37.0 mttt -49.78 -53.68 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.482 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.458 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 21.6 p90 -178.59 90.39 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.197 0.522 . . . . 0.0 110.9 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.588 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -172.75 -99.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.302 179.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -131.32 64.67 1.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 0.0 111.248 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -53.18 -35.62 60.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.232 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.593 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 21.3 mt-30 -68.49 -22.17 64.56 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.965 0.412 . . . . 0.0 111.114 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' A' ' 65' ' ' ARG . 4.4 ttt180 -73.05 -19.96 61.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.149 0.5 . . . . 0.0 109.837 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 54' ' ' ARG . 1.2 t80 -87.41 -46.03 10.01 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.593 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.5 OUTLIER -65.5 -18.18 65.12 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 178.471 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -77.59 -58.12 3.44 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.638 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -62.95 -33.56 75.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.954 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.558 HD13 HD13 ' A' ' 96' ' ' LEU . 12.2 mt -65.19 -47.81 75.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.117 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -54.39 -44.67 72.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.467 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.06 -44.85 75.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.742 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 tp -51.47 -40.64 59.88 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.383 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.445 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.7 OUTLIER -65.09 -50.28 66.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.148 178.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.508 ' O ' HG12 ' A' ' 79' ' ' ILE . 5.4 mt-10 -62.4 -24.73 67.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.998 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -82.46 -52.33 6.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.925 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.459 HG23 ' HG ' ' A' ' 82' ' ' LEU . 10.9 p -54.13 -31.52 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.51 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' A' ' 80' ' ' LYS . 7.1 mt-10 -64.25 -42.62 96.4 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' ' 75' ' ' GLU . 28.8 mm -59.02 -6.45 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.652 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 76.66 114.72 0.06 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.052 179.787 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 176.85 -40.02 0.01 OUTLIER 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.794 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.459 ' HG ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -128.78 45.75 2.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.298 -179.661 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -59.33 -27.6 66.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.873 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.525 ' O ' HG22 ' A' ' 88' ' ' ILE . 1.3 p80 -79.28 -38.29 35.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.793 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.55 ' O ' HG22 ' A' ' 89' ' ' VAL . 25.0 t80 -61.25 -24.47 66.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.747 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.485 ' O ' ' HB ' ' A' ' 90' ' ' VAL . 56.9 t-105 -86.98 -48.46 8.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.341 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -59.61 -22.17 61.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.454 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.549 HG23 ' N ' ' A' ' 89' ' ' VAL . 2.1 tt -86.73 -57.69 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.009 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.572 ' HA ' HD12 ' A' ' 94' ' ' ILE . 30.3 m -56.95 -36.17 49.56 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-O 120.839 0.352 . . . . 0.0 111.323 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.557 HG12 ' N ' ' A' ' 91' ' ' GLN . 0.9 OUTLIER -68.69 -59.44 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.929 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.557 ' N ' HG12 ' A' ' 90' ' ' VAL . 19.1 mt-30 -52.77 -31.53 38.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.075 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.1 4.44 2.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.403 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.56 1.79 72.56 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.877 -0.678 . . . . 0.0 113.237 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.572 HD12 ' HA ' ' A' ' 89' ' ' VAL . 15.2 mt -67.49 134.39 30.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 117.091 0.446 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 t -129.11 159.82 34.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.013 0.435 . . . . 0.0 111.627 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.674 HD12 ' HG3' ' A' ' 111' ' ' GLU . 0.1 OUTLIER -58.5 176.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.589 -179.824 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.406 HD11 HD11 ' A' ' 58' ' ' ILE . 1.4 mp -72.45 121.59 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.14 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.44 ' HB ' ' HB2' ' A' ' 101' ' ' GLU . 0.1 OUTLIER -101.51 142.42 32.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.142 179.651 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.457 ' HB3' ' N ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -39.27 -85.18 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.65 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.527 ' C ' ' H ' ' A' ' 102' ' ' ALA . 19.2 tt0 -53.14 -20.41 3.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.032 -178.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.44 ' HB2' ' HB ' ' A' ' 98' ' ' THR . 2.9 tt0 -68.17 15.08 0.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.681 0.277 . . . . 0.0 111.213 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.527 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -121.95 -60.13 1.61 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.981 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.95 -40.23 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.642 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 171.82 43.77 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.641 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.69 129.53 53.71 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-O 121.261 0.553 . . . . 0.0 111.509 -179.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.3 p -65.84 140.74 58.41 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.443 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.457 ' N ' ' HB3' ' A' ' 99' ' ' LYS . 3.4 t -139.01 138.51 41.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.226 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.93 149.08 15.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.296 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.34 -12.69 57.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.132 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.462 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 2.0 mt-10 -84.29 -16.64 42.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.305 -179.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.674 ' HG3' HD12 ' A' ' 96' ' ' LEU . 8.8 tt0 -82.35 -48.36 11.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.968 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.419 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -88.24 -43.48 11.55 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -178.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -80.48 -47.57 14.1 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -177.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.462 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 0.2 OUTLIER -64.26 -34.05 77.22 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -178.296 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -68.29 -47.14 68.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.755 0.312 . . . . 0.0 111.201 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mp -110.3 61.77 0.6 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.097 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -82.7 153.45 67.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.965 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -67.05 -26.61 43.05 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.464 2.109 . . . . 0.0 112.32 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -112.46 -0.88 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -57.02 -29.65 83.71 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.594 2.196 . . . . 0.0 112.268 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.0 t -106.51 142.61 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.057 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.422 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.6 t30 -110.14 137.44 20.56 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 4' ' ' ASN . 25.6 Cg_exo -63.07 -37.61 51.39 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.614 2.21 . . . . 0.0 112.257 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.51 -31.33 69.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.202 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 11' ' ' VAL . 17.0 mt-10 -72.74 -52.29 15.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.727 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -63.87 -25.35 68.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.575 ' O ' HG22 ' A' ' 13' ' ' VAL . 31.8 t80 -74.79 -54.75 6.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.73 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -55.33 -29.45 58.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.041 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 7' ' ' GLU . 58.9 t -85.26 -46.04 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.041 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 tp -53.8 -33.25 55.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.151 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 9' ' ' PHE . 5.8 m -79.53 -49.77 19.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.815 0.341 . . . . 0.0 110.644 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' N ' HG23 ' A' ' 13' ' ' VAL . 36.4 mttp -80.34 37.88 0.4 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.18 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.31 -48.86 8.65 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.358 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER 174.06 -38.74 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.566 0.222 . . . . 0.0 111.22 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 5.4 mmtp -129.86 -29.32 2.12 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.41 ' HB3' ' HA ' ' A' ' 13' ' ' VAL . . . -52.92 104.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.953 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 t -85.84 -67.22 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.492 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -179.34 44.85 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.014 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -121.28 -68.33 0.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 111.135 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -66.86 -43.37 83.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.47 -30.31 69.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.452 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.6 m -73.63 -58.03 3.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.809 0.338 . . . . 0.0 110.793 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -52.86 -42.74 65.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.84 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -62.05 -47.99 82.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.733 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.416 ' HA ' HD22 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -56.55 -47.27 79.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.75 179.716 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -33.79 66.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -65.7 -44.82 84.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.155 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -44.79 95.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.914 179.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.445 HD11 ' HB3' ' A' ' 49' ' ' CYS . 97.0 mt -57.49 -50.9 75.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.232 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -57.39 -47.87 80.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.934 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -53.72 -48.86 69.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.51 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -54.31 -44.1 71.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.817 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.45 -18.1 57.38 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.97 0.414 . . . . 0.0 110.988 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -77.63 -5.87 51.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.802 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 60.0 p -126.9 118.41 24.52 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.624 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -76.69 126.41 30.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.745 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 42' ' ' TYR . 8.6 mm-40 -162.31 165.11 27.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.68 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.576 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 11.6 m -82.18 -50.62 0.82 Allowed Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.576 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 65.3 Cg_endo -88.9 8.91 3.76 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.501 2.134 . . . . 0.0 113.693 -178.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.404 ' HB3' ' HB2' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -87.11 -35.06 18.89 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.214 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -64.64 -17.74 64.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.935 0.397 . . . . 0.0 110.717 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -77.13 -27.29 53.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.389 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -32.4 60.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.659 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.05 -52.34 43.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.244 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.9 mt -59.38 -40.25 81.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.509 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -62.27 -26.21 68.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.002 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.445 ' HB3' HD11 ' A' ' 31' ' ' ILE . 5.7 m -83.41 -47.77 11.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.323 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.493 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 6.3 tt -63.62 -20.77 27.05 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.084 0 CA-C-O 120.961 0.41 . . . . 0.0 110.614 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -78.65 -53.87 6.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.104 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.89 -31.98 72.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.905 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -72.77 -54.92 7.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -53.89 -39.83 66.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.262 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -64.47 -50.87 65.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.813 0.339 . . . . 0.0 111.256 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.92 -24.05 67.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.34 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.58 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -86.25 -57.79 2.88 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.767 0.318 . . . . 0.0 110.857 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.692 HG22 HG13 ' A' ' 97' ' ' ILE . 1.9 pp -53.89 -40.19 43.43 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.204 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.197 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -49.97 -54.19 21.51 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.516 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -177.28 80.16 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.348 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.58 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 7.6 t -160.79 -99.41 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.759 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -132.67 65.39 1.59 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.009 0.433 . . . . 0.0 111.379 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -52.44 -35.74 52.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.493 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.608 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 48.6 mt-30 -70.53 -18.38 62.94 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.737 0.303 . . . . 0.0 111.109 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -79.21 -20.52 48.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.11 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.51 -47.06 9.04 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.844 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.608 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -66.98 -18.79 65.55 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 178.322 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -69.98 -57.7 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.205 -1.361 . . . . 0.0 108.844 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -70.88 -25.41 62.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.873 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.583 HD13 ' CD1' ' A' ' 96' ' ' LEU . 9.7 mt -67.93 -48.0 67.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.633 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -58.0 -35.5 71.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.875 0.369 . . . . 0.0 110.741 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.45 -42.29 30.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.095 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.738 ' O ' HG13 ' A' ' 77' ' ' VAL . 11.4 tp -62.93 -45.96 90.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.694 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -53.67 55.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.158 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.15 -33.08 74.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.345 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -69.61 -57.35 5.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.329 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.738 HG13 ' O ' ' A' ' 73' ' ' LEU . 1.4 m -66.73 -28.14 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.162 -179.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -57.77 -52.57 64.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.94 0.4 . . . . 0.0 109.992 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.1 mm -61.21 -82.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.779 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -152.52 105.13 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.783 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.421 ' HB2' ' HA ' ' A' ' 77' ' ' VAL . 1.7 mt-30 -173.66 -75.97 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.488 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.15 69.67 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.918 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -67.16 -18.56 65.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.631 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -66.17 -39.81 90.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.628 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -60.13 -28.66 68.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.746 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 -78.38 -47.17 18.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.776 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -62.76 -22.27 66.45 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.202 0.525 . . . . 0.0 110.053 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 62.6 mt -85.49 -59.92 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.838 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.422 ' HA ' HD12 ' A' ' 94' ' ' ILE . 11.7 t -47.48 -33.82 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.497 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 91' ' ' GLN . 14.1 p -76.84 -49.21 24.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.769 0.319 . . . . 0.0 110.707 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.501 ' N ' HG13 ' A' ' 90' ' ' VAL . 20.2 tt0 -56.39 -39.37 72.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.994 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.12 -2.26 4.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.454 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.08 46.53 21.71 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.747 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 89' ' ' VAL . 53.6 mt -105.62 131.16 55.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.938 0.399 . . . . 0.0 110.883 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.754 ' HA ' HD11 ' A' ' 116' ' ' LEU . 16.6 p -99.71 -166.79 1.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.709 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.583 ' CD1' HD13 ' A' ' 70' ' ' LEU . 1.1 tp -101.95 -135.5 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.072 -179.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.692 HG13 HG22 ' A' ' 58' ' ' ILE . 1.3 mp -117.27 115.22 48.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 120.942 0.401 . . . . 0.0 111.658 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.472 ' HA ' ' HB ' ' A' ' 107' ' ' VAL . 0.2 OUTLIER -103.24 132.91 49.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.983 178.562 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.535 ' CG ' HG23 ' A' ' 107' ' ' VAL . 33.5 mtpt -54.85 -33.33 61.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.699 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -59.0 -25.06 63.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.892 0.377 . . . . 0.0 110.691 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -75.21 -21.39 58.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.326 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 58' ' ' ILE . . . -137.24 -69.36 0.46 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.899 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.468 ' HB2' ' HG2' ' A' ' 99' ' ' LYS . 0.6 OUTLIER -52.64 -90.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.616 -179.398 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.91 -58.18 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.368 -0.92 . . . . 0.0 113.156 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.7 p -66.0 -154.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.827 0.346 . . . . 0.0 111.549 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 107' ' ' VAL . 18.7 t -124.06 89.74 3.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.055 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.535 HG23 ' CG ' ' A' ' 99' ' ' LYS . 1.2 t -24.99 133.11 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.211 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.449 ' HB ' ' HG2' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -47.98 151.35 0.96 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.577 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.662 ' HB1' ' HB2' ' A' ' 113' ' ' LYS . . . -60.87 -31.72 71.17 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.315 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.449 ' HG2' ' HB ' ' A' ' 108' ' ' THR . 0.7 OUTLIER -50.14 -26.18 4.27 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.807 179.801 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.568 ' HG3' HD23 ' A' ' 96' ' ' LEU . 1.4 tt0 -89.8 -59.04 2.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.038 0.447 . . . . 0.0 111.16 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -80.1 -34.26 38.06 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.662 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 29.7 mttt -88.58 -42.89 11.77 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -177.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -66.73 -31.62 72.39 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -178.193 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -75.14 -47.34 28.99 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.754 HD11 ' HA ' ' A' ' 95' ' ' THR . 1.5 mp -79.94 -31.68 40.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.647 0.26 . . . . 0.0 111.395 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -122.1 136.5 26.37 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.15 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.75 -47.3 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.446 2.097 . . . . 0.0 112.41 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -120.43 175.53 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.08 146.48 58.55 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.694 2.263 . . . . 0.0 112.347 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.8 t -102.82 -58.64 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.205 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -108.18 135.21 19.94 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -61.0 -34.89 90.0 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.499 2.133 . . . . 0.0 112.256 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.79 -18.37 61.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.045 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -85.09 -56.47 3.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.031 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -63.08 -30.83 71.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.607 ' O ' HG22 ' A' ' 13' ' ' VAL . 11.7 t80 -70.93 -53.72 13.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -54.47 -40.08 68.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.498 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.1 p -77.42 -42.03 30.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.667 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.01 -39.82 72.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.382 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 9' ' ' PHE . 17.2 m -83.03 -6.71 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.266 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -112.73 43.04 1.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -109.34 -47.61 3.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.85 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.544 ' HG3' ' H ' ' A' ' 17' ' ' LYS . 2.5 pttt -178.92 -55.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.771 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.544 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 4.0 mttt -173.62 74.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.833 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.3 -3.5 53.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 m 72.35 122.89 0.04 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.852 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -60.92 -31.47 70.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.245 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -53.0 -55.91 20.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.891 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -55.97 -50.28 71.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.621 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.587 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -62.82 -36.38 82.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.064 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.6 t -63.3 -53.05 58.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.672 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -55.95 -43.89 77.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.87 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.05 -49.23 78.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.073 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -45.82 85.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.3 -32.84 59.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.89 0.376 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -67.53 -45.64 75.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.324 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -61.62 -44.39 97.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.188 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 89.8 mt -58.7 -49.61 82.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.591 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -55.49 -42.88 75.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.679 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -61.61 -47.1 86.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.56 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -56.38 -37.31 69.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.57 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.8 mt -61.46 -45.24 95.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.764 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.02 -0.75 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.425 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.05 119.18 32.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.08 0.466 . . . . 0.0 110.559 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -82.16 107.31 14.76 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.699 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -162.87 131.9 4.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.509 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.46 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 1.5 m -64.12 -50.07 70.54 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.738 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.46 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 16.8 Cg_exo -67.62 -12.59 36.11 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.345 2.03 . . . . 0.0 112.412 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -86.19 -41.97 14.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.131 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.15 -31.08 70.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.919 0.39 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -31.98 73.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.114 0.483 . . . . 0.0 110.077 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -71.43 -31.44 67.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.687 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.49 -50.12 60.38 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.2 mt -57.88 -43.72 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.818 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.44 -28.9 67.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.031 179.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 36.3 m -77.6 -43.83 30.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.034 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.86 -31.95 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.748 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -72.07 -35.17 69.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.022 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.71 -36.19 57.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.452 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -75.8 -51.17 13.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.791 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.448 ' NH1' HG22 ' A' ' 94' ' ' ILE . 21.0 mtp-105 -48.07 -45.56 32.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.379 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -70.03 -44.57 68.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.683 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.84 -34.99 79.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.589 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.61 -53.5 4.92 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.806 0.298 . . . . 0.0 111.806 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.429 ' HA ' ' HB3' ' A' ' 63' ' ' GLU . 71.5 mt -53.85 -46.42 63.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.006 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.48 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 33.4 mttm -49.56 -50.29 42.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.665 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.48 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 23.6 p90 -175.79 99.76 0.07 Allowed 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.103 0.478 . . . . 0.0 111.086 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.589 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.6 OUTLIER 179.2 -93.44 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.23 179.707 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.409 ' HB3' ' HB2' ' A' ' 65' ' ' ARG . 33.6 mt-10 -138.55 59.95 1.62 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.868 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 0.9 OUTLIER -53.51 -37.34 62.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.645 179.754 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.603 ' HA ' HD21 ' A' ' 67' ' ' ASN . 16.8 tt0 -69.04 -10.2 56.35 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.594 0.235 . . . . 0.0 111.607 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.409 ' HB2' ' HB3' ' A' ' 62' ' ' GLU . 11.9 ttt180 -82.26 -59.02 2.69 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.556 178.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.14 -47.88 34.46 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.704 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.603 HD21 ' HA ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -62.0 -54.97 34.2 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.755 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -41.59 -51.77 3.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.443 178.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -71.94 -31.55 66.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.749 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.836 HD13 HD13 ' A' ' 96' ' ' LEU . 1.1 mt -59.19 -40.92 87.22 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.147 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -62.91 -33.13 74.68 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.503 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.88 -41.11 60.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.433 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.5 tp -57.5 -40.92 79.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.774 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.421 ' HA ' HG12 ' A' ' 77' ' ' VAL . 4.5 tm0? -60.6 -48.9 79.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.173 178.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -64.09 -24.41 67.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.959 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.75 ' HA ' HD12 ' A' ' 79' ' ' ILE . 30.3 mttp -81.18 -51.6 8.25 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.161 0.505 . . . . 0.0 110.173 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 74' ' ' GLN . 9.5 p -60.89 -26.5 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.583 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' A' ' 80' ' ' LYS . 4.6 mt-10 -59.64 -49.22 78.6 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.23 178.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.75 HD12 ' HA ' ' A' ' 76' ' ' LYS . 2.8 mt -60.4 3.19 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.398 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' A' ' 78' ' ' GLU . 1.5 ptpt 79.69 108.32 0.07 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.75 0.786 . . . . 0.0 111.305 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.617 ' HB3' HD23 ' A' ' 82' ' ' LEU . 2.7 mt-30 -166.11 -54.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.663 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.617 HD23 ' HB3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -124.97 55.39 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.508 -179.34 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -63.29 -36.76 84.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.064 0.459 . . . . 0.0 110.37 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -67.54 -44.37 78.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.619 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.519 ' O ' HG23 ' A' ' 89' ' ' VAL . 7.1 t80 -52.13 -47.5 65.33 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.961 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 24.8 t-105 -57.77 -43.24 85.38 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.417 ' O ' HG12 ' A' ' 90' ' ' VAL . 1.7 mm-40 -65.29 -41.19 94.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.053 0.454 . . . . 0.0 110.146 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 7.1 mt -73.75 -19.66 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.376 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 85' ' ' PHE . 4.0 t -78.25 -41.23 26.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.265 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' ' 87' ' ' GLU . 9.5 p -73.96 -29.72 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.062 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -75.18 -50.86 14.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.689 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -57.49 -18.65 19.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.654 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.41 -24.48 31.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.279 -0.963 . . . . 0.0 113.976 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 89' ' ' VAL . 1.1 pt -46.7 112.48 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 117.563 0.681 . . . . 0.0 110.837 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.494 ' HA ' HD11 ' A' ' 116' ' ' LEU . 43.8 p -93.52 -167.21 1.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.974 -178.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.836 HD13 HD13 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -88.83 -163.02 0.92 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.686 -179.103 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.551 HG21 ' ND2' ' A' ' 67' ' ' ASN . 1.2 mp -108.76 109.97 30.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.021 0.438 . . . . 0.0 111.255 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.13 137.02 43.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.767 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.748 ' H ' ' HB ' ' A' ' 107' ' ' VAL . 4.1 mtmt -54.08 -31.13 50.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 0.0 110.77 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -72.25 -30.28 64.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.45 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -67.03 -8.88 33.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.052 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -147.14 -127.58 0.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.523 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 97.3 p -89.51 153.95 20.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.741 0.305 . . . . 0.0 110.846 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 105.29 -142.84 15.58 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.705 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.529 ' H ' ' HD2' ' A' ' 99' ' ' LYS . 29.7 m -119.98 -116.52 0.32 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.7 t -123.94 88.51 2.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.745 0.307 . . . . 0.0 110.231 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.748 ' HB ' ' H ' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -45.13 150.13 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.877 -179.851 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.7 t -47.88 150.88 1.01 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.551 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.697 ' HB1' ' HB2' ' A' ' 113' ' ' LYS . . . -69.99 -27.07 64.4 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.102 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.406 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 22.8 mt-10 -44.42 -21.86 0.06 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.551 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 1.9 tt0 -88.95 -59.86 2.11 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.951 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.439 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -78.55 -33.0 48.12 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -178.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.697 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 11.8 tttm -87.64 -42.62 12.55 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -178.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.406 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -70.17 -33.34 71.64 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -178.439 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.407 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . 18.1 m-85 -79.26 -47.14 16.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.737 0.303 . . . . 0.0 111.329 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.494 HD11 ' HA ' ' A' ' 95' ' ' THR . 0.4 OUTLIER -87.37 57.09 4.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.88 0.372 . . . . 0.0 110.842 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -94.23 151.51 39.58 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.04 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.62 176.56 6.5 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.497 2.131 . . . . 0.0 112.316 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -148.64 143.86 26.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.978 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 112.577 -0.209 . . . . 0.0 112.577 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.3 164.37 3.93 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.64 2.227 . . . . 0.0 112.394 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.2 t -137.3 114.17 12.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 62.79 105.33 0.03 OUTLIER Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.03 -33.51 26.67 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.505 2.137 . . . . 0.0 112.668 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.45 -39.14 77.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.168 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.516 ' O ' HG23 ' A' ' 11' ' ' VAL . 5.9 tt0 -71.75 -46.14 59.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.056 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -62.54 -34.27 76.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.645 ' HD1' ' HB1' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -70.04 -47.85 60.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.803 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 15.2 mtp-105 -61.24 -37.41 83.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 7' ' ' GLU . 96.8 t -71.81 -44.97 67.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.266 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.58 -28.85 67.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.439 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 9' ' ' PHE . 35.9 m -95.51 -5.6 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.695 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -100.62 -53.93 2.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.477 -179.83 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -63.48 -11.71 25.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.27 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -175.94 132.26 0.25 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -81.46 87.9 6.18 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.569 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.35 30.04 1.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m 65.08 140.4 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.303 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -79.51 63.12 4.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.425 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -129.42 -63.38 0.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.99 -44.51 89.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.645 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -61.77 -40.11 94.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.328 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.632 ' O ' HD12 ' A' ' 28' ' ' ILE . 84.1 p -70.09 -54.8 11.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.838 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -51.46 -49.58 61.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.51 -45.92 87.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.566 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.36 -49.9 73.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.789 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 24' ' ' SER . 1.5 mp -58.54 -42.38 84.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.11 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -60.56 -45.44 93.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.882 0.372 . . . . 0.0 110.257 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -57.01 -47.25 81.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.845 179.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.1 mt -56.48 -49.48 77.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.196 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.446 ' HA ' HD12 ' A' ' 35' ' ' LEU . 26.1 mt-10 -54.14 -45.34 71.96 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.661 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -59.38 -46.04 89.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.255 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -55.21 -32.0 61.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.928 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 32' ' ' GLU . 6.0 mt -72.44 -18.4 61.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.218 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -66.76 -8.98 32.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.789 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.34 110.64 14.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.558 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -78.45 64.91 3.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.087 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.413 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 5.6 mm-40 -113.77 147.4 38.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.796 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.5 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 5.5 m -60.52 -50.19 86.64 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.721 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 40' ' ' THR . 66.3 Cg_endo -73.45 -9.12 22.64 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.193 1.929 . . . . 0.0 112.619 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -85.0 -31.78 23.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.136 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -76.58 -19.59 57.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.938 0.399 . . . . 0.0 110.624 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 63.2 mtt -69.77 -30.79 68.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.354 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.87 -27.07 43.99 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.395 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.69 -52.16 53.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.975 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.496 HD11 HG21 ' A' ' 88' ' ' ILE . 6.7 mt -60.97 -38.67 79.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.164 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -24.6 66.85 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.745 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -85.92 -47.26 9.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.184 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.418 HG22 ' HA ' ' A' ' 47' ' ' ILE . 6.9 tt -64.31 -20.37 26.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 121.004 0.43 . . . . 0.0 110.477 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -78.54 -54.33 6.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.989 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.29 -31.08 69.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.661 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -77.3 -58.23 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.983 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.466 HH21 HG23 ' A' ' 94' ' ' ILE . 4.8 tmm_? -55.03 -28.73 54.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -75.18 -60.38 2.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.388 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.04 -21.27 66.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.87 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.582 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.8 -62.27 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 0.0 111.717 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.701 HD13 ' HA ' ' A' ' 63' ' ' GLU . 50.6 mm -57.02 -37.94 57.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.557 -179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.415 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 11.6 mttt -55.91 -44.41 78.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.415 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 2.8 p90 -176.3 89.11 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 121.171 0.51 . . . . 0.0 111.251 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.582 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -175.18 -98.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.312 179.625 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -129.65 66.2 1.47 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.937 0.399 . . . . 0.0 110.822 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.701 ' HA ' HD13 ' A' ' 58' ' ' ILE . 8.1 pt-20 -51.1 -36.77 42.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.711 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.573 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 56.6 mt-30 -69.28 -23.41 63.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.84 0.352 . . . . 0.0 111.278 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 65' ' ' ARG . 8.6 ttt180 -71.49 -23.7 61.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.232 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.414 ' HZ ' HG12 ' A' ' 50' ' ' ILE . 19.1 t80 -87.57 -46.05 9.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.732 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.573 ' ND2' ' HA ' ' A' ' 64' ' ' GLN . 4.6 p30 -67.22 -18.7 65.35 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -75.51 -57.53 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.252 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -63.54 -32.25 73.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.576 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.107 HD13 HD13 ' A' ' 96' ' ' LEU . 5.4 mt -62.07 -50.82 70.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.303 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -57.31 -47.84 80.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.322 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.99 -48.82 64.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.819 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 27.6 tp -52.88 -53.26 51.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.331 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.508 ' O ' HG13 ' A' ' 77' ' ' VAL . 10.2 tm0? -52.39 -50.37 62.57 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.51 ' O ' HG12 ' A' ' 79' ' ' ILE . 13.0 mt-10 -60.51 -32.52 71.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.247 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -70.02 -44.51 69.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.233 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.529 HG23 ' HA ' ' A' ' 83' ' ' ASN . 0.7 OUTLIER -60.96 -30.37 47.42 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 C-N-CA 120.548 -0.461 . . . . 0.0 109.803 179.72 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.427 ' C ' ' H ' ' A' ' 80' ' ' LYS . 14.1 mt-10 -66.34 -33.98 76.95 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.51 HG12 ' O ' ' A' ' 75' ' ' GLU . 19.0 mm -65.76 -0.05 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.291 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.427 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 74.77 111.32 0.07 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.429 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.533 ' HB3' HD23 ' A' ' 82' ' ' LEU . 0.9 OUTLIER 172.12 -36.31 0.0 OUTLIER 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.175 -179.667 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -147.14 43.79 1.14 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.052 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.529 ' HA ' HG23 ' A' ' 77' ' ' VAL . 3.7 t-20 -64.12 -14.53 55.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.061 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.54 -34.4 35.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.334 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.432 ' O ' HG23 ' A' ' 89' ' ' VAL . 14.0 t80 -62.9 -30.19 71.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.59 0.233 . . . . 0.0 110.98 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.606 ' HH2' HD21 ' A' ' 96' ' ' LEU . 35.8 t-105 -76.1 -48.33 21.13 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.743 0.306 . . . . 0.0 110.419 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -61.35 -19.71 62.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.088 0.47 . . . . 0.0 109.803 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.496 HG21 HD11 ' A' ' 47' ' ' ILE . 52.5 mt -85.1 -57.82 4.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.595 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.568 HG13 HD12 ' A' ' 94' ' ' ILE . 24.3 t -47.2 -33.39 2.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.392 178.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.2 p -87.23 -39.91 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.846 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.489 ' HB2' ' HA ' ' A' ' 88' ' ' ILE . 2.0 mt-30 -46.46 -30.4 2.16 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.329 178.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.74 -44.97 9.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.208 0.528 . . . . 0.0 109.626 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 120.83 34.19 0.93 Allowed Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.429 -0.805 . . . . 0.0 113.367 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.568 HD12 HG13 ' A' ' 89' ' ' VAL . 14.8 mt -78.43 144.09 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.0 p -95.01 -167.28 1.6 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.247 0.546 . . . . 0.0 112.26 -178.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 1.107 HD13 HD13 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -115.68 11.79 15.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.109 -179.332 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.645 ' HB ' ' O ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER 83.3 126.63 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 O-C-N 124.148 0.905 . . . . 0.0 109.934 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.24 157.35 27.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.094 0.473 . . . . 0.0 112.115 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.484 ' N ' ' HB ' ' A' ' 107' ' ' VAL . 10.9 ttmt -34.79 -84.28 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.609 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.557 ' C ' ' H ' ' A' ' 102' ' ' ALA . 33.4 tt0 -59.5 -15.13 15.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.918 -178.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -69.85 21.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 0.0 110.901 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.557 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -136.88 -59.46 0.71 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.761 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.2 -35.88 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.709 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 160.77 46.14 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.241 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.822 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.467 ' O ' ' HA ' ' A' ' 99' ' ' LYS . 69.8 m -121.24 127.55 51.53 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.992 0.425 . . . . 0.0 111.397 -179.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.461 ' HA ' ' HG3' ' A' ' 99' ' ' LYS . 50.3 m -55.87 134.03 51.7 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.04 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.484 ' HB ' ' N ' ' A' ' 99' ' ' LYS . 40.7 t -135.5 117.54 21.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.0 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.47 HG23 ' H ' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -47.91 150.1 1.2 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.667 -178.681 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.26 -12.5 59.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.285 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.47 ' H ' HG23 ' A' ' 108' ' ' THR . 27.6 mt-10 -78.49 -16.6 57.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.204 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.456 ' H ' HG23 ' A' ' 108' ' ' THR . 4.1 tt0 -81.53 -48.78 11.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.315 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.543 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.06 -33.58 19.46 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -178.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -85.2 -48.8 8.77 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.11 -40.59 96.4 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.474 ' CD2' HD11 ' A' ' 96' ' ' LEU . 17.2 m-85 -69.27 -48.03 62.88 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 70.3 mt -81.04 145.79 30.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.953 0.406 . . . . 0.0 111.165 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.463 ' HB1' ' HD2' ' A' ' 118' ' ' PRO . . . -117.56 160.06 39.58 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.686 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.463 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 7.5 Cg_endo -49.91 96.6 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.53 2.154 . . . . 0.0 111.969 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -51.83 -59.95 3.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.116 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.939 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 112.554 -0.218 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.32 158.54 12.1 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.628 2.219 . . . . 0.0 112.331 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.8 t 56.78 83.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.4 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.7 t30 -116.94 142.2 29.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 4' ' ' ASN . 44.5 Cg_exo -57.07 -39.15 93.23 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.559 2.173 . . . . 0.0 112.386 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.92 -30.1 66.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.194 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.46 ' O ' HG22 ' A' ' 11' ' ' VAL . 36.2 mt-10 -73.22 -52.35 14.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -57.06 -29.85 63.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 179.864 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.521 ' HB2' HD23 ' A' ' 27' ' ' LEU . 62.7 t80 -78.57 -46.82 18.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.575 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -57.88 -34.78 70.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 7' ' ' GLU . 18.4 m -79.83 -43.28 22.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.112 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 8' ' ' ASN . 0.1 OUTLIER -58.53 -33.07 69.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.956 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.473 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 30.8 m -87.98 -1.86 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.121 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -129.72 38.37 3.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.634 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.445 ' H ' ' HG3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -116.26 -47.75 2.74 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.668 0.271 . . . . 0.0 111.265 179.608 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.3 -39.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.886 0.374 . . . . 0.0 110.178 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.561 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 10.5 mttt -132.48 -156.2 0.73 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.286 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 17' ' ' LYS . . . 84.18 -54.0 0.13 Allowed 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.54 0.525 . . . . 0.0 110.481 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.1 m 49.26 -81.43 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.277 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.511 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -167.97 30.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.37 -179.052 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -114.38 -77.89 0.58 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.767 0.318 . . . . 0.0 111.083 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -64.38 -41.72 96.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.467 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . . . -68.44 -29.28 67.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.096 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.0 m -70.59 -57.02 5.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.483 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.428 ' O ' HG22 ' A' ' 28' ' ' ILE . 34.0 m-80 -54.15 -43.01 70.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.44 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -59.5 -47.09 86.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.359 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.521 HD23 ' HB2' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -57.25 -47.94 80.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.698 179.47 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.428 HG22 ' O ' ' A' ' 25' ' ' ASN . 0.9 OUTLIER -61.9 -35.45 68.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.899 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -64.69 -45.08 88.15 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.902 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -44.37 90.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.623 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 98.5 mt -57.15 -50.28 77.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.017 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -54.26 -44.62 71.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.638 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -59.15 -46.09 89.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.292 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -55.83 -31.53 62.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.884 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.8 mt -74.55 -18.21 60.62 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.054 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -66.29 -6.48 14.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.757 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.76 113.39 16.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.558 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -78.61 62.61 3.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.284 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.541 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 6.6 mm-40 -119.34 143.76 47.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.718 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.532 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 3.5 m -58.77 -49.79 91.5 Favored Pre-proline 0 CA--C 1.533 0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.71 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.541 ' HD2' ' HB3' ' A' ' 39' ' ' GLU . 25.9 Cg_exo -63.03 -15.01 45.16 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.185 1.923 . . . . 0.0 112.274 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -86.37 -35.62 19.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.003 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -68.32 -26.03 65.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.746 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 60.4 mtt -67.53 -33.17 74.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.427 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -29.5 61.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.674 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -52.0 44.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.183 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.2 mt -58.68 -41.55 82.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.173 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -25.05 67.34 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.185 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.9 m -82.41 -41.25 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.317 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.433 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 1.6 tt -70.71 -25.56 26.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.683 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -79.29 -29.98 42.73 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.83 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.43 -34.55 31.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.139 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -77.46 -50.26 13.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.727 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 2.1 tmt_? -52.27 -45.21 65.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.302 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -64.13 -53.72 45.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.543 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -64.2 -22.01 66.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.5 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.555 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.12 -59.24 2.35 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.196 -179.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.0 pp -56.81 -40.07 68.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.754 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.45 ' HB3' ' CD1' ' A' ' 60' ' ' PHE . 59.5 mttt -51.95 -55.01 22.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.625 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 59' ' ' LYS . 21.8 p90 -178.84 86.21 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 121.247 0.546 . . . . 0.0 110.836 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.555 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -167.73 -100.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.199 179.743 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -130.9 64.17 1.58 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.964 0.412 . . . . 0.0 110.941 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.437 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 0.5 OUTLIER -53.92 -37.04 63.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.291 179.646 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.608 ' HA ' HD21 ' A' ' 67' ' ' ASN . 1.7 tt0 -63.68 -24.24 67.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.866 0.365 . . . . 0.0 111.049 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 65' ' ' ARG . 1.3 ttt180 -73.0 -20.8 60.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.967 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.26 -48.26 7.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.542 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.836 HD22 HG21 ' A' ' 97' ' ' ILE . 0.8 OUTLIER -63.11 -18.3 63.27 Favored 'General case' 0 CA--C 1.521 -0.155 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.563 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -77.88 -57.41 3.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.594 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -66.1 -29.06 69.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.283 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.719 HD13 HD13 ' A' ' 96' ' ' LEU . 7.0 mt -67.41 -51.78 47.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.867 0.365 . . . . 0.0 110.567 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -56.26 -43.86 79.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.989 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.4 -45.5 65.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.76 ' O ' HG13 ' A' ' 77' ' ' VAL . 28.3 tp -55.87 -52.72 63.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.901 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -54.69 32.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.488 ' O ' HD12 ' A' ' 79' ' ' ILE . 12.1 mt-10 -58.8 -43.39 90.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.227 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -61.62 -58.42 8.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.337 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.76 HG13 ' O ' ' A' ' 73' ' ' LEU . 1.1 m -64.11 -17.93 21.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.851 0.358 . . . . 0.0 110.916 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.38 -56.65 4.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.219 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.488 HD12 ' O ' ' A' ' 75' ' ' GLU . 2.6 mt -75.62 52.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.003 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.41 111.46 0.06 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.376 0.608 . . . . 0.0 111.686 178.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.436 ' HB2' ' HA ' ' A' ' 77' ' ' VAL . 0.1 OUTLIER 174.59 -83.54 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.052 179.333 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.77 72.37 1.33 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.846 0.355 . . . . 0.0 111.311 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -71.06 -14.83 62.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.111 0.481 . . . . 0.0 110.316 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -65.9 -44.79 84.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.054 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -55.63 -30.49 61.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.813 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -80.39 -42.13 23.37 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.707 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 25.1 mt-10 -61.99 -24.84 67.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.209 0.528 . . . . 0.0 109.726 179.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.4 mt -85.53 -57.74 4.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.707 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.622 HG13 ' HB ' ' A' ' 94' ' ' ILE . 3.5 t -46.77 -33.03 1.97 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.35 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.0 p -88.09 -38.87 12.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.73 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 29.6 tt0 -47.02 -30.69 2.79 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.151 178.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.74 -45.29 9.41 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 123.53 16.5 3.41 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.265 -0.88 . . . . 0.0 113.203 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.622 ' HB ' HG13 ' A' ' 89' ' ' VAL . 26.4 mt -54.09 137.68 14.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.843 0.321 . . . . 0.0 110.179 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.518 ' HA ' HD11 ' A' ' 116' ' ' LEU . 31.0 p -99.89 -167.59 1.48 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.224 0.535 . . . . 0.0 112.067 -178.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.719 HD13 HD13 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -116.17 -176.26 2.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.777 -179.484 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.836 HG21 HD22 ' A' ' 67' ' ' ASN . 1.7 mp -78.39 112.01 15.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 178.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.456 ' HA ' HG12 ' A' ' 107' ' ' VAL . 0.2 OUTLIER -120.54 159.66 24.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.806 0.336 . . . . 0.0 111.748 -179.375 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -36.11 -76.96 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.619 179.478 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -63.99 -20.53 65.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.532 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -76.08 -9.43 58.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.773 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -154.3 133.8 12.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.955 0.407 . . . . 0.0 111.73 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.412 ' HB3' ' H ' ' A' ' 104' ' ' GLY . 18.0 m 53.24 -164.15 0.09 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.432 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.412 ' H ' ' HB3' ' A' ' 103' ' ' SER . . . -76.66 72.85 1.95 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.213 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 99' ' ' LYS . 5.5 t 46.79 61.41 2.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.639 0.257 . . . . 0.0 111.394 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.462 ' O ' HG23 ' A' ' 107' ' ' VAL . 0.2 OUTLIER -126.94 97.09 4.84 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.539 HG11 ' O ' ' A' ' 97' ' ' ILE . 1.0 OUTLIER 151.12 121.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.939 0.895 . . . . 0.0 110.21 178.584 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.3 t -58.85 150.51 23.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.322 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.43 ' HA ' HG23 ' A' ' 98' ' ' THR . . . -78.73 -22.95 45.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.386 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 5.1 mt-10 -42.17 -25.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.634 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -83.49 -48.55 10.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.208 0.527 . . . . 0.0 110.586 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.567 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -71.37 -21.78 61.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.873 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -88.28 -49.36 7.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.978 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -68.2 -29.04 67.8 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.488 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.546 ' CD2' HD11 ' A' ' 96' ' ' LEU . 6.5 m-85 -72.97 -47.2 47.46 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.518 HD11 ' HA ' ' A' ' 95' ' ' THR . 2.7 mt -76.18 -30.42 58.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.237 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -92.28 151.87 41.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.063 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.03 174.79 10.75 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.445 2.097 . . . . 0.0 112.28 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 36.6 tttt -111.0 -52.12 2.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.935 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.157 0 CA-C-O 120.191 -0.227 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.49 153.85 27.08 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.583 2.189 . . . . 0.0 112.345 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.1 m -104.14 113.63 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -126.39 140.97 38.59 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.715 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.55 -35.55 81.06 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.452 2.101 . . . . 0.0 112.215 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.67 -23.66 65.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.551 ' O ' HG23 ' A' ' 11' ' ' VAL . 40.7 mt-10 -85.36 -43.43 13.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -59.47 -50.87 72.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.668 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.546 ' HD1' ' HB1' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -56.48 -47.0 80.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.737 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.419 ' HA ' HG22 ' A' ' 13' ' ' VAL . 71.0 mtt180 -63.92 -29.26 70.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.088 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 7' ' ' GLU . 28.7 t -74.34 -42.96 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.439 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.752 HD12 HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -72.27 -26.81 62.13 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.322 -179.523 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.752 HG13 HD12 ' A' ' 12' ' ' LEU . 19.0 m -94.74 -3.19 10.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.779 0.323 . . . . 0.0 111.051 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -63.16 -10.82 16.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.761 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.593 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -116.28 -50.16 2.66 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.246 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.593 ' HB3' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER 131.67 6.46 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.565 1.146 . . . . 0.0 109.407 179.59 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -68.02 -35.74 78.79 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.718 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 19' ' ' SER . . . -93.51 -11.7 31.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.502 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.453 ' O ' ' O ' ' A' ' 18' ' ' ALA . 5.2 t 52.08 153.48 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.348 0.594 . . . . 0.0 112.468 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -80.56 48.06 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.655 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -131.06 -66.72 0.73 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.82 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -69.68 -40.99 76.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.673 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.546 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -67.13 -33.03 74.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.99 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 p -73.95 -56.72 4.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.714 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.4 ' O ' HG22 ' A' ' 28' ' ' ILE . 15.4 m-80 -52.62 -44.8 66.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.905 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -62.04 -43.98 97.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.609 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -57.96 -46.45 85.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.706 179.556 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.4 HG22 ' O ' ' A' ' 25' ' ' ASN . 1.1 tp -65.15 -34.32 69.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.811 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -45.16 85.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.939 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -58.81 -44.43 90.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.834 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.0 mt -58.73 -50.03 80.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.201 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.605 ' HA ' HD12 ' A' ' 35' ' ' LEU . 31.5 mt-10 -54.05 -45.39 71.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.74 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -58.95 -46.04 89.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.297 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -55.47 -32.38 62.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.733 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.605 HD12 ' HA ' ' A' ' 32' ' ' GLU . 4.0 mt -79.85 -18.76 49.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.834 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -79.63 -1.34 37.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.18 123.1 31.21 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.684 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -72.43 114.93 11.08 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.677 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -164.28 155.06 15.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.798 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.509 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 5.7 m -81.07 -49.53 1.02 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.691 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.509 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 7.4 Cg_exo -73.19 -1.06 10.01 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.495 2.13 . . . . 0.0 112.437 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -86.24 -47.57 9.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.164 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -61.65 -34.48 75.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.903 0.382 . . . . 0.0 110.703 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 61.9 mtt -65.32 -32.6 74.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.313 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -77.3 -28.04 53.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.439 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.69 -51.09 60.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.14 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.528 HD11 HG21 ' A' ' 88' ' ' ILE . 4.0 mt -60.24 -41.13 85.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.267 178.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.54 -21.86 65.87 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.857 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.1 m -86.44 -46.66 10.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.166 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.5 tt -64.27 -21.19 28.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 121.049 0.452 . . . . 0.0 110.284 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.25 -54.46 6.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.096 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.13 71.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.575 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.447 ' HB3' ' HZ ' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -72.73 -55.08 7.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.01 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -56.45 -41.81 77.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.196 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 14.4 mt-10 -61.44 -57.49 11.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.482 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.46 -27.8 67.33 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.623 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -87.28 -62.19 1.56 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.507 HD13 ' HA ' ' A' ' 63' ' ' GLU . 37.0 mm -54.09 -38.0 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.896 -178.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.409 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 35.4 mttt -58.51 -42.83 88.55 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.13 -0.228 . . . . 0.0 110.988 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.409 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 19.5 p90 -172.7 78.0 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.929 0.395 . . . . 0.0 111.822 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.623 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -176.8 -106.52 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.577 179.42 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.682 ' HB3' ' HB3' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -103.42 82.87 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.404 . . . . 0.0 111.372 -178.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.507 ' HA ' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -81.12 -49.48 10.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.613 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.579 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 75.1 mt-30 -69.97 -21.1 63.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.794 0.331 . . . . 0.0 111.518 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.682 ' HB3' ' HB3' ' A' ' 62' ' ' GLU . 2.4 ttt180 -74.22 -19.38 60.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.118 0.485 . . . . 0.0 109.949 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.47 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -87.16 -45.91 10.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.221 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.579 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.8 OUTLIER -68.69 -18.58 64.28 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.709 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -75.59 -58.32 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.573 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -64.93 -29.7 70.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.857 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.815 HD13 HD13 ' A' ' 96' ' ' LEU . 5.2 mt -67.84 -47.35 69.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.567 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -56.08 -42.38 76.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.78 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.39 -44.63 58.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.001 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.645 ' O ' HG12 ' A' ' 77' ' ' VAL . 35.8 tp -56.09 -49.36 74.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.635 ' O ' HG13 ' A' ' 77' ' ' VAL . 4.7 tm0? -53.82 -49.75 67.68 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.71 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.504 ' O ' HG12 ' A' ' 79' ' ' ILE . 33.2 mt-10 -65.15 -28.38 69.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.237 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -71.11 -46.82 60.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.085 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.645 HG12 ' O ' ' A' ' 73' ' ' LEU . 0.2 OUTLIER -59.19 -31.9 47.02 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.532 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -64.98 -32.51 74.26 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 75' ' ' GLU . 14.9 mm -67.99 -0.6 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.342 178.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.18 111.16 0.07 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.72 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.43 ' HB3' HD23 ' A' ' 82' ' ' LEU . 0.8 OUTLIER 176.31 -43.71 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.825 -179.727 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.43 HD23 ' HB3' ' A' ' 81' ' ' GLN . 0.1 OUTLIER -141.47 47.51 1.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.78 -179.813 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.543 ' HA ' HG23 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -65.68 -14.44 61.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.871 179.786 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 -37.24 43.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.966 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.467 ' O ' HG23 ' A' ' 89' ' ' VAL . 14.8 t80 -65.88 -25.87 67.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.865 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.417 ' O ' HG12 ' A' ' 90' ' ' VAL . 20.9 t-105 -75.79 -52.98 9.21 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.605 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.09 -18.5 60.95 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.189 0.519 . . . . 0.0 110.122 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.528 HG21 HD11 ' A' ' 47' ' ' ILE . 44.2 mt -85.38 -60.81 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.166 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 85' ' ' PHE . 48.8 t -49.2 -31.61 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.333 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.517 HG13 ' N ' ' A' ' 91' ' ' GLN . 12.0 p -78.58 -50.13 19.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.758 0.313 . . . . 0.0 110.492 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.517 ' N ' HG13 ' A' ' 90' ' ' VAL . 30.2 tt0 -53.47 -35.8 60.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.958 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.99 5.43 2.03 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.341 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.73 -1.88 56.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.894 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 9.3 mt -70.83 137.81 23.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.751 0.31 . . . . 0.0 110.675 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.4 t -130.7 165.93 21.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.026 0.441 . . . . 0.0 111.587 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.815 HD13 HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -57.94 177.1 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.548 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.505 ' O ' HG11 ' A' ' 107' ' ' VAL . 1.3 mp -74.79 124.88 33.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.141 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.77 145.3 30.56 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.535 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.577 ' HG3' ' HA ' ' A' ' 106' ' ' SER . 22.5 tttt -31.05 -86.06 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.912 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.53 ' C ' ' H ' ' A' ' 102' ' ' ALA . 2.0 pt-20 -61.54 -11.68 12.08 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -70.37 21.87 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.712 0.291 . . . . 0.0 111.187 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.53 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -136.28 -59.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.855 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.7 p -178.65 -39.43 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.71 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 164.86 49.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.821 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.9 m -122.58 127.09 48.98 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.034 0.445 . . . . 0.0 111.614 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.577 ' HA ' ' HG3' ' A' ' 99' ' ' LYS . 28.9 p -57.67 137.35 56.54 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.56 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.505 HG11 ' O ' ' A' ' 97' ' ' ILE . 4.2 t -138.3 132.35 41.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.278 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.38 149.57 10.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.539 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.61 -12.41 58.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.84 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -84.58 -16.51 41.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.148 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.769 ' HG3' HD12 ' A' ' 96' ' ' LEU . 5.9 tt0 -81.2 -46.6 14.59 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.992 -178.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.432 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.84 -45.68 10.09 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -178.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -78.31 -46.92 18.91 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -177.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.9 tmtp? -65.96 -40.52 91.36 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -62.16 -47.49 84.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.655 0.264 . . . . 0.0 111.467 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.0 mp -100.48 41.5 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.169 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.81 151.93 86.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.006 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.04 -59.05 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.526 2.15 . . . . 0.0 112.363 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -78.37 154.07 31.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.69 152.13 36.07 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.633 2.222 . . . . 0.0 112.313 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.3 t -98.18 116.19 40.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -126.32 143.01 44.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -56.35 -33.14 90.84 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.453 2.102 . . . . 0.0 112.271 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.39 -24.76 60.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.473 ' O ' HG22 ' A' ' 11' ' ' VAL . 33.4 mt-10 -78.4 -48.39 15.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.95 -27.43 68.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.58 ' HD1' ' HB1' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -81.82 -46.71 13.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.688 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 14.1 mtp180 -61.47 -32.78 72.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.316 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 7' ' ' GLU . 27.5 m -78.47 -42.66 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.702 0.287 . . . . 0.0 111.398 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.412 ' N ' HG23 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -63.19 -27.14 69.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.91 -179.873 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 9' ' ' PHE . 25.1 m -95.01 -1.88 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.095 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 11.2 tttt -123.4 42.49 3.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 11.3 mm100 -116.08 -47.56 2.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.899 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.528 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -179.84 -40.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.422 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.528 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 4.3 mptt -156.18 152.94 28.47 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.892 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 179.61 -29.23 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.69 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m 63.81 130.6 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.022 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -77.02 58.67 1.55 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.978 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -133.95 -62.05 0.78 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.731 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -68.7 -43.52 75.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.639 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -66.95 -31.33 71.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.87 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.62 ' O ' HD12 ' A' ' 28' ' ' ILE . 49.8 m -74.2 -57.87 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.514 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -51.54 -42.68 61.96 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.768 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -63.24 -45.33 92.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.38 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -55.89 -46.26 78.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.451 179.424 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.62 HD12 ' O ' ' A' ' 24' ' ' SER . 1.7 mp -62.78 -41.94 94.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.673 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -59.67 -43.79 93.84 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.204 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -59.83 -48.57 81.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.925 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 98.3 mt -55.33 -49.45 72.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.185 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -54.78 -45.04 74.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.66 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -58.41 -45.88 87.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.215 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -56.72 -31.21 64.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.789 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.6 mt -77.12 -17.92 58.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.959 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -65.94 -4.97 7.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.75 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.53 116.47 18.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.405 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -77.23 58.78 1.66 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.376 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.501 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 6.6 mm-40 -120.35 136.77 54.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.599 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.518 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 2.4 m -53.65 -49.76 87.11 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.779 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.518 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 32.1 Cg_exo -58.89 -21.16 56.2 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.178 1.918 . . . . 0.0 112.479 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -84.76 -36.71 21.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.147 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -70.13 -24.75 63.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.939 0.399 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 64.4 mtt -68.41 -32.24 72.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.344 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.14 -30.51 62.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.546 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.6 m -64.4 -50.93 65.71 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.096 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.515 HD11 HG21 ' A' ' 88' ' ' ILE . 6.4 mt -59.62 -40.66 82.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.981 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -26.84 68.03 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.136 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -81.34 -40.35 23.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.348 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.2 tt -69.88 -27.25 32.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.752 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.4 ' HD3' HH11 ' A' ' 51' ' ' ARG . 5.3 mtm180 -77.24 -31.32 55.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.792 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.64 -37.13 28.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.339 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -72.7 -48.38 39.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.496 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.463 HH21 HD12 ' A' ' 97' ' ' ILE . 9.3 mtp180 -51.5 -47.6 63.19 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.278 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -62.64 -45.56 92.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.436 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.53 -36.4 83.69 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -178.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.623 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.65 -54.06 4.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 111.843 -178.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.497 HG23 ' HA ' ' A' ' 102' ' ' ALA . 64.9 mt -52.21 -46.07 44.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.248 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.496 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 3.8 mttp -50.71 -47.3 59.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.693 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.496 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 21.8 p90 179.77 95.85 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.131 0.491 . . . . 0.0 111.071 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.623 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.6 OUTLIER -179.11 -100.28 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.276 179.596 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -131.69 63.35 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.888 0.375 . . . . 0.0 111.296 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -56.05 -31.38 63.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.042 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.588 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 69.3 mt-30 -72.14 -21.95 61.38 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -72.89 -18.97 61.36 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.05 -43.59 12.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.321 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.588 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.6 OUTLIER -69.64 -18.47 63.59 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.652 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -79.59 -58.42 3.2 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.463 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -58.94 -29.6 67.25 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.652 178.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.451 ' CD2' HD22 ' A' ' 73' ' ' LEU . 11.3 mt -76.38 -41.83 46.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.746 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.429 ' HA ' ' HZ ' ' A' ' 115' ' ' PHE . 30.1 mttt -53.13 -44.72 67.95 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.729 178.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.34 -42.22 62.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.38 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.451 HD22 ' CD2' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -49.97 -41.89 47.65 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.181 179.222 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.406 ' HB2' ' HE2' ' A' ' 115' ' ' PHE . 1.5 tm0? -62.54 -48.34 79.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.327 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.418 ' O ' HD12 ' A' ' 79' ' ' ILE . 26.3 mt-10 -65.97 -23.57 66.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.888 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.654 ' HA ' HD12 ' A' ' 79' ' ' ILE . 12.9 tttm -81.48 -51.76 7.95 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.441 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 73' ' ' LEU . 7.2 p -58.84 -28.33 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.037 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -61.76 -46.45 89.54 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' A' ' 76' ' ' LYS . 4.4 mt -57.09 -9.51 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.482 178.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 79.12 116.54 0.06 Allowed 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.073 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.614 ' HB3' HD23 ' A' ' 82' ' ' LEU . 1.7 mt-30 175.43 -34.6 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.192 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.614 HD23 ' HB3' ' A' ' 81' ' ' GLN . 0.1 OUTLIER -136.62 40.34 2.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.721 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -63.91 -14.84 56.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.84 -37.49 55.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.024 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -66.18 -25.67 67.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.997 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -76.5 -56.64 4.44 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.104 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 38.6 mt-10 -62.18 -18.21 60.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.677 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.515 HG21 HD11 ' A' ' 47' ' ' ILE . 33.2 mt -85.24 -60.4 2.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.31 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.502 HG13 ' HB ' ' A' ' 94' ' ' ILE . 25.1 t -47.5 -31.39 2.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.537 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.3 p -87.53 -40.71 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.809 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 1.1 mt-30 -46.39 -28.63 1.4 Allowed 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.424 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.59 -44.78 9.32 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 178.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 120.62 35.28 0.86 Allowed Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.386 -0.825 . . . . 0.0 113.179 177.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.502 ' HB ' HG13 ' A' ' 89' ' ' VAL . 5.8 mt -89.17 153.36 3.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.619 0.247 . . . . 0.0 110.356 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.564 ' HA ' HD11 ' A' ' 116' ' ' LEU . 16.8 p -136.13 174.55 10.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.872 0.367 . . . . 0.0 111.167 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.559 HD22 ' HG3' ' A' ' 111' ' ' GLU . 0.1 OUTLIER -76.27 -169.93 1.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.272 0.558 . . . . 0.0 111.161 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.548 ' O ' HG11 ' A' ' 107' ' ' VAL . 1.3 mp -72.0 117.77 15.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.878 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -103.87 152.01 22.44 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.255 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.567 ' HG2' ' H ' ' A' ' 107' ' ' VAL . 30.6 mttm -19.12 -98.33 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.083 -0.962 . . . . 0.0 113.539 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -70.98 -3.21 18.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.675 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -79.43 3.5 18.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.202 0.525 . . . . 0.0 109.674 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.497 ' HA ' HG23 ' A' ' 58' ' ' ILE . . . -128.72 -79.42 0.57 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.416 ' C ' ' H ' ' A' ' 105' ' ' SER . 3.5 t 165.19 -32.73 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.737 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.94 10.79 0.31 Allowed Glycine 0 CA--C 1.519 0.336 0 CA-C-N 115.98 -0.555 . . . . 0.0 114.003 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 103' ' ' SER . 6.5 m 66.26 -101.15 0.07 Allowed 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 117.411 0.606 . . . . 0.0 111.501 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.5 p -70.48 131.18 43.65 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.412 0.625 . . . . 0.0 112.036 -179.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.567 ' H ' ' HG2' ' A' ' 99' ' ' LYS . 3.2 t -131.75 135.96 57.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.211 178.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.75 146.76 4.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.855 -0.612 . . . . 0.0 112.16 -178.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -84.28 -13.71 51.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.454 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.684 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 27.3 mt-10 -85.19 -18.42 34.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.729 -178.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.559 ' HG3' HD22 ' A' ' 96' ' ' LEU . 9.3 tt0 -82.61 -48.35 11.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.283 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -87.76 -41.15 13.51 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -87.33 -46.53 9.59 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.684 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -64.66 -40.58 95.68 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -177.786 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.429 ' HZ ' ' HA ' ' A' ' 71' ' ' LYS . 12.4 m-85 -59.29 -39.14 82.06 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.564 HD11 ' HA ' ' A' ' 95' ' ' THR . 1.6 mp -95.42 15.11 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.42 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -122.44 144.44 42.08 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.156 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -79.56 146.63 19.3 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.572 2.182 . . . . 0.0 112.496 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -90.96 120.52 32.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.62 -16.14 28.91 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.617 2.211 . . . . 0.0 112.335 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.4 p -129.28 144.47 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.4 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 1.9 t-20 -115.78 123.28 31.41 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.82 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 4' ' ' ASN . 39.1 Cg_exo -60.84 -34.66 91.07 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.588 2.192 . . . . 0.0 112.495 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.31 -30.76 67.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.195 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -81.25 -44.5 17.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.076 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -63.43 -27.61 69.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.976 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.567 ' HD1' ' HB1' ' A' ' 23' ' ' ALA . 0.7 OUTLIER -82.41 -45.71 14.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.73 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -62.69 -31.87 72.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.235 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.537 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 14.9 p -78.61 -39.96 23.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.225 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -25.88 66.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.847 0.355 . . . . 0.0 110.631 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 9' ' ' PHE . 24.3 m -96.73 -2.88 10.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.558 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -102.84 -47.03 4.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.427 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -83.46 -0.02 48.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.928 -179.645 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -169.44 128.48 0.99 Allowed 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -178.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -83.45 81.15 8.85 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.755 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.12 22.17 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.083 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m 65.13 138.02 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.278 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -79.01 57.86 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.57 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -128.26 -68.33 0.77 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.132 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.65 -46.26 90.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.063 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.567 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -60.84 -42.21 97.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.283 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.637 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.3 OUTLIER -65.36 -53.75 38.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.754 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -52.2 -49.4 63.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -56.1 -47.36 78.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.46 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.71 -49.74 72.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.54 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 24' ' ' SER . 1.7 mp -57.34 -43.31 82.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.05 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.66 -45.49 93.93 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.749 0.309 . . . . 0.0 110.281 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -55.64 -47.63 76.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.695 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 28' ' ' ILE . 71.5 mt -56.3 -49.63 75.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.229 178.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.646 ' HA ' HD12 ' A' ' 35' ' ' LEU . 30.0 mt-10 -54.18 -45.38 72.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.746 179.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -59.61 -47.23 86.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.259 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -54.67 -32.01 58.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.113 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 32' ' ' GLU . 2.4 mt -71.3 -18.84 62.39 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.775 0.322 . . . . 0.0 111.239 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.02 -10.85 56.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.825 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.29 109.38 13.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.683 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.425 ' HA ' ' HE2' ' A' ' 43' ' ' PHE . 3.1 t-20 -76.08 62.01 1.62 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.424 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.561 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 5.8 mm-40 -120.77 161.96 20.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.564 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.561 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 21.2 m -72.05 -49.01 10.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.845 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.561 ' HD2' ' HB3' ' A' ' 39' ' ' GLU . 26.8 Cg_exo -62.44 -20.93 71.98 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.192 1.928 . . . . 0.0 112.411 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -86.24 -51.33 6.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.05 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.425 ' HE2' ' HA ' ' A' ' 38' ' ' ASN . 5.5 m-85 -63.76 -28.34 69.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.575 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.7 mtt -61.41 -24.7 66.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.121 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.17 -55.43 5.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.162 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.03 -49.55 6.09 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.65 178.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.2 mt -55.23 -49.36 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.068 0.461 . . . . 0.0 110.216 178.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.46 -18.91 65.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.294 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -81.74 -48.05 12.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.078 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.73 -23.23 30.43 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.109 0 CA-C-O 121.185 0.517 . . . . 0.0 109.757 179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -77.15 -55.0 5.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.33 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.24 -33.03 71.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.251 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.401 ' HB3' ' HE1' ' A' ' 66' ' ' PHE . 2.0 t80 -76.34 -56.02 5.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.837 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 55' ' ' GLU . 4.3 ppt_? -55.16 -31.59 61.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.547 -179.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 54' ' ' ARG . 22.4 tt0 -72.55 -54.46 9.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.753 0.311 . . . . 0.0 111.194 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.97 -20.84 66.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.565 ' HB1' ' O ' ' A' ' 62' ' ' GLU . . . -83.95 -60.34 2.14 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.133 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.428 HG23 ' O ' ' A' ' 54' ' ' ARG . 1.4 pp -57.75 -37.27 58.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.893 0.378 . . . . 0.0 110.392 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.479 ' HB3' ' CD1' ' A' ' 60' ' ' PHE . 17.7 mttt -50.78 -55.94 14.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.502 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 59' ' ' LYS . 25.5 p90 178.59 67.11 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.17 0.509 . . . . 0.0 111.309 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.521 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 4.1 m -158.66 -111.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.495 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.565 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 2.0 mm-40 -104.39 79.63 1.6 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.867 0.365 . . . . 0.0 111.309 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.426 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -80.01 -44.96 19.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.732 179.626 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.579 ' HA ' HD21 ' A' ' 67' ' ' ASN . 61.3 mt-30 -67.79 -24.53 65.33 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.741 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.457 ' HB3' ' HB3' ' A' ' 62' ' ' GLU . 1.8 ttt180 -72.92 -20.13 61.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.67 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.401 ' HE1' ' HB3' ' A' ' 53' ' ' PHE . 1.8 t80 -87.13 -44.82 11.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.501 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.579 HD21 ' HA ' ' A' ' 64' ' ' GLN . 0.5 OUTLIER -65.85 -18.39 65.3 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.619 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -79.05 -57.83 3.54 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.5 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -62.03 -33.42 74.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.743 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.561 HD13 HD13 ' A' ' 96' ' ' LEU . 8.6 mt -65.4 -46.1 81.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.163 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -55.97 -46.35 78.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.544 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.99 -43.25 68.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.048 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.56 ' O ' HG12 ' A' ' 77' ' ' VAL . 23.2 tp -54.46 -51.41 65.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.464 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.507 ' O ' HG13 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -49.44 -47.61 48.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.448 179.536 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -65.74 -31.79 72.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.222 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -68.8 -43.12 76.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.9 HG23 ' HA ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -68.81 -28.46 39.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.027 0.442 . . . . 0.0 110.129 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -75.77 -16.71 60.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.17 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.0 mt -120.75 -60.63 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 81' ' ' GLN . 24.2 tttt -35.99 -70.88 0.08 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -178.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.408 ' CB ' ' O ' ' A' ' 80' ' ' LYS . 0.2 OUTLIER 160.24 -21.88 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.247 0.342 . . . . 0.0 110.886 -178.167 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.521 ' HG ' ' HA ' ' A' ' 77' ' ' VAL . 0.6 OUTLIER -74.71 42.31 0.17 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.989 0.423 . . . . 0.0 111.147 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.9 ' HA ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -62.86 -19.82 64.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.925 179.831 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 -73.78 -25.39 60.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.638 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.726 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.7 t80 -60.95 -44.6 97.06 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.593 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.711 ' HB2' HG21 ' A' ' 77' ' ' VAL . 3.7 t-105 -53.37 -47.21 69.65 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.407 ' HA ' HG12 ' A' ' 90' ' ' VAL . 33.6 mt-10 -64.41 -34.02 77.21 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -74.74 -18.4 16.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.477 178.828 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 85' ' ' PHE . 75.8 t -87.41 -35.25 8.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.06 -178.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 87' ' ' GLU . 12.1 p -82.63 -36.69 13.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.816 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -58.44 -46.14 87.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.124 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.05 -1.95 6.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.751 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.66 9.07 86.4 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.025 -0.607 . . . . 0.0 113.088 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.2 mm -66.61 129.83 31.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.795 0.297 . . . . 0.0 110.72 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.417 ' HA ' HD11 ' A' ' 116' ' ' LEU . 49.1 p -121.82 149.53 43.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.495 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.73 HD12 ' HG3' ' A' ' 111' ' ' GLU . 0.3 OUTLIER -55.18 177.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.277 179.778 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.614 HG22 HG21 ' A' ' 107' ' ' VAL . 1.5 mp -74.61 121.23 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.617 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.57 142.34 33.08 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.608 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.604 ' HB3' ' H ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -36.46 -85.53 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.51 179.737 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -52.55 -18.27 1.64 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.755 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.71 13.27 2.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 110.483 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.74 21.59 6.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.6 m 60.02 76.36 0.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.993 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 64.35 36.25 92.97 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.266 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.3 113.04 15.75 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 120.943 0.401 . . . . 0.0 110.919 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.439 ' HA ' ' HB3' ' A' ' 99' ' ' LYS . 58.8 m -65.79 145.04 56.46 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.513 0.673 . . . . 0.0 111.033 -179.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.614 HG21 HG22 ' A' ' 97' ' ' ILE . 1.9 t -142.43 142.3 27.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.166 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.74 149.53 14.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.202 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.0 -12.96 58.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.248 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -84.56 -16.26 42.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.003 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.73 ' HG3' HD12 ' A' ' 96' ' ' LEU . 5.6 tt0 -79.74 -47.24 15.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.969 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.492 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.86 -48.25 7.96 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 48.5 tttt -70.08 -46.92 63.88 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -66.48 -35.91 81.44 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.0 0.371 . . . . 0.0 112.0 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -69.05 -47.59 64.96 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.417 HD11 ' HA ' ' A' ' 95' ' ' THR . 0.4 OUTLIER -81.69 14.97 2.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.527 -179.234 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -82.03 143.49 49.55 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.88 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.87 156.81 48.04 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.416 2.077 . . . . 0.0 112.404 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.5 mttt 52.68 76.13 0.21 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.069 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.961 179.944 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.49 -34.29 89.06 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.618 2.212 . . . . 0.0 112.315 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.3 p -78.27 117.95 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.424 HD22 ' H ' ' A' ' 6' ' ' ALA . 3.4 t30 -132.49 141.55 41.66 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -57.56 -29.41 84.91 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.528 2.152 . . . . 0.0 112.37 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.424 ' H ' HD22 ' A' ' 4' ' ' ASN . . . -69.45 -28.12 65.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.443 ' O ' HG23 ' A' ' 11' ' ' VAL . 18.9 mt-10 -79.84 -47.38 15.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.965 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -65.08 -27.4 68.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.63 ' O ' HG22 ' A' ' 13' ' ' VAL . 10.5 t80 -75.32 -51.89 12.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -59.96 -28.43 67.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 7' ' ' GLU . 80.1 t -83.6 -46.9 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.114 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 tt -56.68 -23.94 45.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.337 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 9' ' ' PHE . 12.4 m -94.22 -47.39 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.49 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' N ' HG23 ' A' ' 13' ' ' VAL . 11.2 tttm -86.2 52.07 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.14 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.433 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 1.8 mm-40 -116.26 -48.32 2.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.022 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER 172.91 -34.95 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.734 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.488 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -167.74 143.76 4.03 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.241 -179.57 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 17' ' ' LYS . . . 174.71 -25.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.98 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 t 70.33 119.78 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.561 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -56.39 -36.64 69.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.326 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -48.94 -60.35 2.83 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -55.82 -50.75 69.67 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.59 -32.6 73.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.433 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.419 ' HB2' ' HZ ' ' A' ' 53' ' ' PHE . 6.1 p -69.65 -54.0 16.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.437 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -54.36 -46.45 72.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.557 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -58.88 -48.96 79.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -56.71 -49.3 75.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.96 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.2 tp -60.69 -36.55 71.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.201 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -64.41 -45.86 85.77 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.47 -44.49 89.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.774 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.1 mt -57.34 -50.39 77.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.148 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.531 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -54.14 -44.78 71.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.643 179.389 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -59.31 -45.92 89.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.199 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -55.37 -31.55 61.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.725 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 32' ' ' GLU . 4.3 mt -76.56 -18.56 58.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.3 -5.7 11.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.782 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.09 110.76 15.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.555 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -76.99 61.98 2.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.327 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.529 ' HB2' ' HB2' ' A' ' 42' ' ' TYR . 2.6 mt-10 -107.44 170.28 8.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.694 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.504 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 27.0 m -81.19 -49.68 1.0 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.927 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.504 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 93.5 Cg_endo -78.29 -0.51 10.77 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.208 1.939 . . . . 0.0 112.783 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.529 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 1.6 m-85 -85.8 -31.28 22.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.244 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -76.04 -23.45 55.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.897 0.38 . . . . 0.0 110.645 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 57.9 mtt -66.68 -33.53 75.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.389 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -75.89 -29.22 58.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.567 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.4 ' HB2' ' HE1' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -66.38 -51.19 59.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.191 179.747 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mt -60.07 -41.26 85.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.365 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.2 -22.98 66.36 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.948 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 m -85.74 -46.58 10.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.194 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.68 -21.18 28.0 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-O 120.993 0.425 . . . . 0.0 110.245 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.57 ' HE ' HD11 ' A' ' 94' ' ' ILE . 4.4 mtt180 -77.84 -54.18 6.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.036 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.18 -32.42 73.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.83 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.419 ' HZ ' ' HB2' ' A' ' 24' ' ' SER . 0.2 OUTLIER -73.9 -57.13 4.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.951 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.405 ' HG3' ' CZ ' ' A' ' 66' ' ' PHE . 19.8 mtp-105 -54.69 -34.53 62.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.995 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -68.59 -56.98 6.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.485 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -64.84 -23.74 67.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.697 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.567 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.68 -61.21 1.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 111.684 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.504 HG12 HG13 ' A' ' 97' ' ' ILE . 57.8 mt -56.53 -40.89 71.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.664 -179.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.495 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 1.0 OUTLIER -53.65 -46.97 70.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.858 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.495 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 18.8 p90 -174.65 89.93 0.06 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.142 0.496 . . . . 0.0 111.244 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.567 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -176.9 -98.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.336 179.66 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -132.62 65.08 1.59 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.024 0.44 . . . . 0.0 110.73 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.73 -32.89 32.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.556 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -78.33 -23.84 46.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.814 0.34 . . . . 0.0 111.221 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 -65.53 -24.69 67.18 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.492 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -89.5 -43.51 10.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.213 179.663 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -66.67 -18.07 65.17 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.628 0.727 . . . . 0.0 109.369 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -77.29 -57.83 3.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.184 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -64.65 -27.35 68.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.583 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.736 HD13 HD13 ' A' ' 96' ' ' LEU . 1.5 mt -69.22 -49.21 58.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.325 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.404 ' HA ' ' HZ ' ' A' ' 115' ' ' PHE . 42.5 mttt -54.68 -40.51 69.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.657 179.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.9 -44.27 32.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.407 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.71 ' O ' HG13 ' A' ' 77' ' ' VAL . 13.0 tp -57.59 -47.51 81.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -57.04 -54.44 46.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.274 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.522 ' O ' HD12 ' A' ' 79' ' ' ILE . 12.1 pt-20 -64.95 -33.41 75.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.231 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -66.25 -58.07 6.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.995 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.71 HG13 ' O ' ' A' ' 73' ' ' LEU . 1.5 m -65.88 -18.19 23.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.681 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.57 -56.1 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.328 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.522 HD12 ' O ' ' A' ' 75' ' ' GLU . 3.3 mt -77.5 56.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.0 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.11 114.14 0.05 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.363 0.601 . . . . 0.0 111.72 178.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.415 ' HB2' ' HA ' ' A' ' 77' ' ' VAL . 2.6 mt-30 169.56 -85.16 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.678 179.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.61 73.36 1.34 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -71.98 -15.78 62.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.652 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -65.33 -41.59 93.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.431 ' O ' HG23 ' A' ' 89' ' ' VAL . 27.5 t80 -63.22 -24.77 68.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.769 0.318 . . . . 0.0 110.646 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.421 ' O ' HG12 ' A' ' 90' ' ' VAL . 55.4 t-105 -78.4 -48.76 14.81 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.539 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -63.35 -19.78 64.93 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.294 0.569 . . . . 0.0 109.816 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 59.9 mt -85.56 -61.21 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.955 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 85' ' ' PHE . 40.1 t -48.92 -31.21 3.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.493 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 91' ' ' GLN . 14.4 p -78.7 -48.9 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.805 0.336 . . . . 0.0 110.447 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.503 ' N ' HG13 ' A' ' 90' ' ' VAL . 25.6 tt0 -55.17 -36.34 65.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.742 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.504 ' HB3' HG12 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -67.21 2.98 1.33 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.386 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.14 -1.73 73.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.265 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.57 HD11 ' HE ' ' A' ' 51' ' ' ARG . 12.1 mm -61.79 130.64 26.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 117.099 0.45 . . . . 0.0 110.777 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.559 ' HA ' HD11 ' A' ' 116' ' ' LEU . 42.3 p -119.38 145.81 45.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.369 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.736 HD13 HD13 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -48.63 172.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.62 179.578 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.675 HG22 HG21 ' A' ' 107' ' ' VAL . 1.7 mp -65.93 109.98 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.362 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.446 ' HB ' ' HG3' ' A' ' 101' ' ' GLU . 0.2 OUTLIER -91.33 134.82 34.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.54 -179.619 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.57 ' HB2' ' HA ' ' A' ' 105' ' ' SER . 0.0 OUTLIER -46.43 -52.49 12.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.712 179.51 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -62.94 -26.51 68.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.513 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.446 ' HG3' ' HB ' ' A' ' 98' ' ' THR . 8.3 mt-10 -76.84 -15.95 59.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.402 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.27 14.54 19.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.372 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 49.82 15.19 0.15 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.923 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -132.41 -6.88 2.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.594 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.57 ' HA ' ' HB2' ' A' ' 99' ' ' LYS . 11.2 t 54.12 47.43 23.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.769 0.319 . . . . 0.0 111.043 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.554 ' O ' HG23 ' A' ' 107' ' ' VAL . 2.8 t -123.3 89.71 3.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.519 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.675 HG21 HG22 ' A' ' 97' ' ' ILE . 0.9 OUTLIER -173.09 148.64 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.377 179.372 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.9 153.41 20.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.089 0.471 . . . . 0.0 112.072 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.04 -12.82 60.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.753 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.417 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 38.5 mt-10 -81.49 -17.05 49.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.602 -179.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.7 ' HG3' HD12 ' A' ' 96' ' ' LEU . 5.3 tt0 -86.8 -48.71 7.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.535 -179.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.492 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.7 -36.33 17.45 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -178.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -87.07 -47.59 8.79 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 2.6 tmtt? -63.12 -33.49 75.56 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -178.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.404 ' HZ ' ' HA ' ' A' ' 71' ' ' LYS . 8.7 m-85 -71.02 -47.2 60.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.691 0.281 . . . . 0.0 111.567 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.559 HD11 ' HA ' ' A' ' 95' ' ' THR . 0.5 OUTLIER -83.63 19.93 1.52 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.291 -179.593 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.08 150.82 90.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.901 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.45 159.99 51.1 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.436 2.091 . . . . 0.0 112.309 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -143.01 143.08 31.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 CA-C-O 120.109 -0.273 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -56.97 133.78 60.19 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.557 2.171 . . . . 0.0 112.288 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.0 t -125.36 -63.28 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.019 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -123.16 141.5 36.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.711 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.97 -35.89 97.8 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.492 2.128 . . . . 0.0 112.361 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.01 -38.0 82.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.229 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.554 ' O ' HG22 ' A' ' 11' ' ' VAL . 43.8 mt-10 -69.88 -49.21 54.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.135 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -58.31 -34.77 70.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.981 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.583 ' O ' HG22 ' A' ' 13' ' ' VAL . 7.4 t80 -74.1 -46.34 43.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.605 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -58.2 -40.11 80.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.467 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 7' ' ' GLU . 16.3 m -75.49 -42.79 42.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.388 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.452 ' HG ' ' HB3' ' A' ' 17' ' ' LYS . 2.1 tp -56.12 -34.68 66.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 9' ' ' PHE . 35.6 m -95.44 -13.34 8.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.277 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.542 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 2.0 tttm -65.06 -37.21 86.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.863 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.575 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 7.0 pt20 -94.5 -50.44 5.21 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.578 -179.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HB3' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER 135.67 28.04 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.836 0 O-C-N 124.371 1.045 . . . . 0.0 110.105 179.685 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.452 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -54.39 -81.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.143 -179.252 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.66 -78.16 0.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.341 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.427 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 3.0 t 163.26 -69.4 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.487 -179.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.427 ' HB2' ' O ' ' A' ' 19' ' ' SER . 7.6 t80 176.25 -51.65 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.645 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.43 -59.44 4.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.088 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.88 -50.53 68.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.728 0.299 . . . . 0.0 111.611 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.06 -32.2 73.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.1 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.5 m -68.37 -54.17 19.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.422 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -53.71 -44.75 70.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.401 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -61.47 -47.09 87.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.753 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.506 HD13 ' HD2' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -57.63 -46.93 83.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.036 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -34.65 71.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -65.45 -45.64 82.98 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.985 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -58.89 -45.23 90.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.885 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.75 -49.73 79.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.167 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.593 ' HA ' HD12 ' A' ' 35' ' ' LEU . 35.6 mt-10 -53.42 -45.53 69.41 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.623 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -59.23 -45.47 91.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.194 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -55.45 -31.18 61.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.494 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' A' ' 32' ' ' GLU . 2.6 mt -81.96 -20.01 39.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.786 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.61 -1.24 18.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.029 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.55 128.72 27.71 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -77.02 118.04 19.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.541 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -166.44 153.0 9.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.785 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.549 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 4.3 m -81.06 -50.17 0.99 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.659 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.549 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 11.5 Cg_exo -70.95 -8.38 23.48 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.364 2.043 . . . . 0.0 112.35 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -84.32 -43.72 14.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.091 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -63.91 -29.37 70.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.681 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 62.4 mtt -66.21 -32.33 73.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.365 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -76.15 -27.01 56.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.537 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.53 -52.29 33.72 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.918 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.474 ' O ' HG22 ' A' ' 50' ' ' ILE . 12.4 mt -59.6 -41.41 84.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.178 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.31 -24.43 66.42 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.88 179.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.74 -48.48 9.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.495 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.474 HG22 ' O ' ' A' ' 47' ' ' ILE . 11.6 tt -61.42 -23.45 30.55 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.098 0 CA-C-O 120.99 0.424 . . . . 0.0 110.623 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.3 mtm-85 -75.7 -54.64 6.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.055 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.1 -30.39 70.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.666 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.506 ' HD2' HD13 ' A' ' 27' ' ' LEU . 15.2 t80 -72.67 -57.57 4.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.376 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -59.67 -33.21 71.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.404 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 8.8 mt-10 -66.53 -58.62 4.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.6 -24.32 66.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.074 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.517 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -87.02 -61.52 1.71 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -178.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.767 HD13 ' HA ' ' A' ' 63' ' ' GLU . 34.9 mm -54.59 -40.98 52.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.27 -179.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 7.8 mmtt -52.75 -47.19 67.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.972 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -173.26 84.1 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.778 0.323 . . . . 0.0 111.643 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.517 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 8.1 t -171.9 -98.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.641 179.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -129.98 66.33 1.48 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.861 0.362 . . . . 0.0 111.049 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.767 ' HA ' HD13 ' A' ' 58' ' ' ILE . 5.9 pt-20 -51.71 -35.33 42.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.675 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.587 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 22.0 tt0 -65.72 -19.62 65.97 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.92 0.391 . . . . 0.0 111.185 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -74.78 -21.25 59.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.049 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.566 ' CD2' HD13 ' A' ' 97' ' ' ILE . 8.1 t80 -86.41 -48.65 8.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.189 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.587 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.7 OUTLIER -63.36 -18.31 63.53 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 178.554 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -77.06 -57.53 3.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.676 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -62.65 -33.74 75.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.162 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.844 HD13 HD13 ' A' ' 96' ' ' LEU . 12.9 mt -65.26 -51.59 59.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.608 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -53.26 -45.48 68.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.578 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.63 -43.49 80.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.611 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 tp -50.66 -42.06 56.19 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.462 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.417 ' HA ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -65.06 -49.44 70.07 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.255 179.14 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.74 -27.97 69.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.234 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.694 ' HA ' HD12 ' A' ' 79' ' ' ILE . 35.6 mttt -81.59 -54.15 5.65 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.117 0.484 . . . . 0.0 110.522 -179.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.417 HG12 ' HA ' ' A' ' 74' ' ' GLN . 12.9 p -53.61 -29.71 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.44 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.41 ' C ' ' H ' ' A' ' 80' ' ' LYS . 7.1 mt-10 -62.51 -49.13 76.57 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.694 HD12 ' HA ' ' A' ' 76' ' ' LYS . 4.5 mt -57.39 -7.74 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.64 178.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.41 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 79.75 114.48 0.06 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.22 179.411 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 179.15 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.477 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.413 ' C ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -133.37 41.71 3.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.79 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -59.48 -17.07 28.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.844 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.27 -38.09 19.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.057 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -62.72 -27.49 69.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.166 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.488 ' HA ' HG12 ' A' ' 89' ' ' VAL . 48.1 t-105 -80.66 -49.84 10.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.752 0.311 . . . . 0.0 110.802 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -62.02 -22.03 65.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.003 0.43 . . . . 0.0 110.259 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 61.1 mt -86.42 -58.89 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.837 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' ' 86' ' ' TRP . 5.4 p -48.21 -33.18 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.559 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.484 HG13 ' N ' ' A' ' 91' ' ' GLN . 9.9 p -78.78 -47.11 23.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.859 0.361 . . . . 0.0 110.327 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.484 ' N ' HG13 ' A' ' 90' ' ' VAL . 1.3 mt-30 -54.69 -38.55 67.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.705 178.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.06 -0.21 5.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.05 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.7 8.02 87.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.975 -0.631 . . . . 0.0 113.208 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.476 HD12 HG23 ' A' ' 89' ' ' VAL . 44.9 mt -67.75 130.53 33.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 117.168 0.484 . . . . 0.0 110.73 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.1 p -94.86 -166.03 1.4 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.355 -179.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.844 HD13 HD13 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -109.07 8.58 26.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.96 -179.189 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.566 HD13 ' CD2' ' A' ' 66' ' ' PHE . 0.7 OUTLIER 82.07 128.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.471 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.563 ' H ' ' HG3' ' A' ' 101' ' ' GLU . 0.2 OUTLIER -110.05 147.47 33.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.561 -179.419 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.495 ' HG3' ' H ' ' A' ' 100' ' ' GLU . 5.9 ptpt -36.97 -67.54 0.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 179.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.495 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 3.5 tt0 -57.22 -14.58 4.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -177.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.563 ' HG3' ' H ' ' A' ' 98' ' ' THR . 3.2 mt-10 -60.74 -3.45 0.73 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.987 0.422 . . . . 0.0 110.696 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -118.44 -159.79 0.77 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.44 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.8 t -78.64 -0.46 30.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.725 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.93 67.41 0.16 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.08 -0.581 . . . . 0.0 111.844 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.4 m -126.94 125.22 41.17 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 121.132 0.491 . . . . 0.0 111.715 -179.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.6 m -56.83 138.01 54.04 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.052 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.425 ' N ' ' HB3' ' A' ' 99' ' ' LYS . 23.0 t -141.38 118.5 7.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.866 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.515 HG23 ' H ' ' A' ' 111' ' ' GLU . 1.1 t -47.86 150.51 1.08 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.832 -178.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.12 -11.69 59.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.149 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -79.94 -16.65 54.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.965 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.515 ' H ' HG23 ' A' ' 108' ' ' THR . 6.2 tt0 -80.98 -51.26 8.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.146 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.544 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -86.84 -40.6 14.76 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -178.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -80.61 -48.51 12.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -33.25 75.43 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.442 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . 16.7 m-85 -75.3 -47.97 25.37 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' ' 112' ' ' ALA . 0.5 OUTLIER -74.86 -35.35 62.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.642 -0.253 . . . . 0.0 111.601 -178.861 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -96.31 144.56 28.05 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.264 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.13 -160.84 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.547 2.165 . . . . 0.0 112.369 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -125.64 -64.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.946 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.931 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -56.29 -25.02 54.21 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.669 2.246 . . . . 0.0 112.218 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.7 p -98.41 144.47 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.199 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.408 ' HB3' ' HB2' ' A' ' 7' ' ' GLU . 2.9 t-20 -120.88 139.22 28.78 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.637 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.439 ' O ' ' HB3' ' A' ' 9' ' ' PHE . 32.1 Cg_exo -58.85 -33.68 98.67 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.471 2.114 . . . . 0.0 112.436 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.63 -18.67 37.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.94 0.4 . . . . 0.0 111.26 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 7.9 mt-10 -85.13 -37.15 20.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.096 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.434 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -85.2 -29.3 24.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.494 -179.66 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.551 ' O ' HG22 ' A' ' 13' ' ' VAL . 10.1 t80 -76.02 -46.71 27.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.232 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -63.37 -40.38 97.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.676 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.1 p -68.18 -37.32 77.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.33 0.492 . . . . 0.0 112.33 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 9' ' ' PHE . 0.7 OUTLIER -76.76 -26.19 54.25 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.136 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 9' ' ' PHE . 33.0 m -95.01 -9.73 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.662 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -100.47 -24.19 14.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.311 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.502 ' HG3' ' HG2' ' A' ' 16' ' ' LYS . 3.4 pt20 -54.98 -32.91 62.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.924 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.601 ' HG3' ' H ' ' A' ' 17' ' ' LYS . 9.3 pttp -169.54 -58.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.99 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.601 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER 176.6 -23.48 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.177 -179.649 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 37.26 -97.58 0.02 OUTLIER 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.738 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.6 p -172.12 109.52 0.24 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.81 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -74.96 51.95 0.53 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.29 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -136.26 -58.46 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.53 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.35 -40.57 67.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.461 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.46 ' HB2' HD11 ' A' ' 12' ' ' LEU . . . -66.48 -33.64 76.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.883 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.2 m -76.13 -56.61 4.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.416 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -50.9 -44.64 60.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.748 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -63.36 -43.22 98.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.384 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.446 HD13 ' CD2' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -56.85 -47.7 79.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.486 179.497 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.53 -34.3 66.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.709 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -64.97 -44.22 90.07 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.754 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -60.11 -45.21 93.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.712 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' A' ' 49' ' ' CYS . 94.0 mt -56.69 -50.1 75.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.016 179.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 35' ' ' LEU . 32.7 mt-10 -54.62 -44.04 72.77 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.579 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -59.24 -45.65 90.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.124 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -55.5 -31.98 62.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.789 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 32' ' ' GLU . 11.5 mt -73.74 -18.4 60.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -66.66 -8.49 27.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.607 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.05 114.18 16.75 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.392 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -76.97 60.6 1.83 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.437 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.505 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 6.1 mm-40 -118.7 141.0 49.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.65 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.53 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 3.1 m -57.89 -49.53 93.16 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.95 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.53 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 32.6 Cg_exo -59.56 -19.37 52.05 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 122.273 1.982 . . . . 0.0 112.495 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -86.17 -38.4 17.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.214 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -67.97 -24.3 65.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.781 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 60.4 mtt -69.73 -30.32 67.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.428 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -76.16 -29.74 57.86 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.662 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.2 m -68.21 -51.64 43.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.259 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.475 HD11 HG21 ' A' ' 88' ' ' ILE . 5.4 mt -58.5 -40.99 80.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.14 178.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -24.27 67.63 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.036 179.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.426 ' HB3' HD11 ' A' ' 31' ' ' ILE . 3.1 m -80.01 -38.71 31.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.045 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -72.95 -25.24 21.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.569 179.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.27 -30.67 48.66 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.637 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.89 -35.85 31.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.087 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.446 ' CD2' HD13 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -73.69 -48.6 30.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.616 179.519 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -53.28 -41.9 66.04 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.311 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 6.8 tt0 -67.17 -49.42 64.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.42 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.87 -30.56 71.19 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.54 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -86.09 -57.35 3.06 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.467 HD11 HD11 ' A' ' 97' ' ' ILE . 62.3 mt -55.19 -43.45 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.269 -179.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 55' ' ' GLU . 2.2 mmtp -50.43 -50.52 51.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.969 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -175.14 84.73 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 120.797 0.332 . . . . 0.0 111.708 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.54 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 4.0 t -169.71 -97.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.603 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.713 ' HB3' ' HB3' ' A' ' 65' ' ' ARG . 2.5 mm-40 -133.92 64.29 1.61 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.017 0.437 . . . . 0.0 111.05 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.466 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -54.13 -34.39 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.305 179.633 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.592 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 58.4 mt-30 -71.88 -23.13 61.45 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.55 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.713 ' HB3' ' HB3' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -73.17 -17.59 61.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.171 0.51 . . . . 0.0 109.846 179.625 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.514 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -87.93 -45.21 10.44 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.171 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.592 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.7 OUTLIER -70.9 -20.93 62.44 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.085 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -69.48 -58.27 4.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.05 178.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -68.83 -26.18 65.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.95 178.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.863 HD13 HD13 ' A' ' 96' ' ' LEU . 2.6 mt -66.35 -47.57 73.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.432 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.4 ' HA ' ' HZ ' ' A' ' 115' ' ' PHE . 88.4 mttt -58.56 -40.7 83.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.82 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.46 -45.53 45.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.034 0.445 . . . . 0.0 111.261 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.765 ' O ' HG13 ' A' ' 77' ' ' VAL . 13.0 tp -57.7 -51.74 68.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -51.24 -51.07 57.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.343 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.482 ' O ' HD12 ' A' ' 79' ' ' ILE . 31.3 mt-10 -64.01 -44.51 92.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -58.68 -54.64 44.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.272 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.765 HG13 ' O ' ' A' ' 73' ' ' LEU . 1.1 m -67.48 -27.73 39.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.765 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.14 -51.07 70.8 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.849 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.482 HD12 ' O ' ' A' ' 75' ' ' GLU . 3.7 mt -64.1 -82.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.806 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -153.41 108.84 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -177.16 -80.63 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.246 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.4 71.55 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.945 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -70.95 -25.14 62.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.574 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.93 -39.72 95.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.712 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.445 ' O ' HG23 ' A' ' 89' ' ' VAL . 28.6 t80 -63.56 -24.61 67.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.556 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.426 ' O ' HG12 ' A' ' 90' ' ' VAL . 48.9 t-105 -79.01 -50.79 10.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.674 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -63.32 -18.59 63.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.211 0.529 . . . . 0.0 109.967 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.475 HG21 HD11 ' A' ' 47' ' ' ILE . 53.3 mt -85.76 -61.94 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.106 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 85' ' ' PHE . 53.4 t -50.4 -28.99 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.515 179.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.523 HG13 ' N ' ' A' ' 91' ' ' GLN . 13.2 p -81.78 -49.9 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.649 0.261 . . . . 0.0 110.623 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.523 ' N ' HG13 ' A' ' 90' ' ' VAL . 2.7 mm-40 -53.36 -31.55 45.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.57 9.75 1.0 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.379 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.63 -7.34 26.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.868 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.414 ' H ' HG13 ' A' ' 94' ' ' ILE . 9.3 mt -67.41 138.93 21.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.764 0.316 . . . . 0.0 110.722 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.44 ' HA ' HD11 ' A' ' 116' ' ' LEU . 1.5 t -130.91 164.87 24.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.996 0.427 . . . . 0.0 111.513 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.863 HD13 HD13 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -57.14 176.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.398 -179.777 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.467 HD11 HD11 ' A' ' 58' ' ' ILE . 1.2 mp -71.5 120.76 20.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.703 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.81 146.84 28.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.552 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.439 ' HG3' ' H ' ' A' ' 100' ' ' GLU . 5.0 ptpt -40.66 -79.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.349 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.527 ' C ' ' H ' ' A' ' 102' ' ' ALA . 12.5 tt0 -56.68 -21.51 28.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.156 -178.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.51 3.81 0.07 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.729 0.3 . . . . 0.0 111.351 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.527 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -144.64 -49.24 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.395 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 t -178.56 -175.09 0.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.162 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -72.19 56.6 1.5 Allowed Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.32 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.6 m -115.75 128.46 55.88 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 120.805 0.336 . . . . 0.0 110.758 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.8 m -59.33 129.94 44.48 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.425 0.631 . . . . 0.0 111.241 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.3 t -134.03 125.42 48.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.608 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -47.86 148.29 1.68 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.884 -178.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.24 -12.76 56.46 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.123 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.461 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 24.9 mt-10 -84.36 -17.06 40.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.408 -178.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.746 ' HG3' HD12 ' A' ' 96' ' ' LEU . 6.3 tt0 -82.96 -46.7 12.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.16 -179.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.438 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.71 -42.27 12.76 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -178.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.64 -46.9 11.83 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -177.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 6.4 tmtm? -64.0 -39.8 94.92 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.4 ' HZ ' ' HA ' ' A' ' 71' ' ' LYS . 8.0 m-85 -64.25 -47.15 80.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.682 0.277 . . . . 0.0 111.593 -179.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.44 HD11 ' HA ' ' A' ' 95' ' ' THR . 3.8 mp -95.4 35.28 1.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.253 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.42 150.92 85.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.019 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.94 153.68 74.73 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.46 2.107 . . . . 0.0 112.359 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -116.02 -67.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 CA-C-O 120.147 -0.252 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.12 -24.79 68.2 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.621 2.214 . . . . 0.0 112.204 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 t -106.84 -46.24 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.211 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.534 ' ND2' ' HB3' ' A' ' 6' ' ' ALA . 1.3 t30 61.49 101.15 0.04 OUTLIER Pre-proline 0 C--N 1.332 -0.185 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.782 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -49.85 -31.97 28.26 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.636 2.224 . . . . 0.0 112.714 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.534 ' HB3' ' ND2' ' A' ' 4' ' ' ASN . . . -67.36 -38.89 85.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.208 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.458 ' O ' HG22 ' A' ' 11' ' ' VAL . 50.1 mt-10 -77.39 -42.49 36.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -62.53 -33.26 74.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.528 ' HD1' ' HB1' ' A' ' 23' ' ' ALA . 1.0 OUTLIER -77.31 -44.16 30.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.591 179.862 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.43 HH21 ' HA ' ' A' ' 52' ' ' ALA . 45.6 mtt180 -61.33 -35.18 76.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.441 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 7' ' ' GLU . 30.4 m -80.0 -40.22 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.628 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.33 -27.37 69.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 111.041 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 9' ' ' PHE . 25.7 m -95.62 -4.46 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.3 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -119.94 44.88 2.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.421 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 10.9 mm100 -116.13 -47.9 2.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.83 0.348 . . . . 0.0 110.783 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.495 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER 176.82 -36.38 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.113 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.495 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 89.2 mttt -156.6 151.93 26.58 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.71 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 179.13 -28.39 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.824 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 t 63.68 130.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.036 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -79.9 58.72 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.61 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -132.94 -64.73 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.068 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.53 -42.3 78.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.528 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -67.44 -31.34 71.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.49 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -76.52 -58.14 3.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.687 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -51.97 -45.29 64.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.924 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -61.49 -43.73 98.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.577 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.419 HD12 ' HD2' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -57.76 -46.45 84.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.678 179.515 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 24' ' ' SER . 1.8 mt -62.41 -41.98 93.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.835 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -60.72 -44.73 96.26 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.332 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -57.67 -46.91 83.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.083 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.4 mt -58.46 -48.59 84.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.333 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -53.65 -45.32 70.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.675 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -59.37 -45.37 91.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.206 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -56.61 -28.81 61.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.621 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -81.99 -18.67 42.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.687 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -75.53 -0.2 19.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.006 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.31 126.32 29.47 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.018 0.437 . . . . 0.0 110.781 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -79.69 117.21 20.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.629 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -165.19 158.89 16.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.536 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.524 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 7.7 m -81.18 -49.44 1.01 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.663 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.524 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 5.8 Cg_exo -74.36 -6.44 18.37 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.501 2.134 . . . . 0.0 112.389 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -83.14 -42.57 17.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.148 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -70.4 -33.78 71.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 47.8 mtt -59.87 -33.64 72.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.062 0.458 . . . . 0.0 110.067 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -78.41 -25.98 46.25 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.531 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -66.17 -50.86 62.46 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.748 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.425 HD11 HG21 ' A' ' 88' ' ' ILE . 7.6 mt -59.66 -41.0 83.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.914 178.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.42 -24.37 66.48 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.947 179.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -84.55 -47.14 10.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.138 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.6 tt -62.35 -23.92 33.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.394 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -54.75 6.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.199 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.43 ' HA ' HH21 ' A' ' 10' ' ' ARG . . . -58.53 -33.03 69.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.917 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.419 ' HD2' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -78.03 -56.6 4.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.361 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.652 HH21 HD12 ' A' ' 97' ' ' ILE . 8.2 mtp-105 -52.01 -35.2 46.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.159 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -70.98 -56.93 5.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.487 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -62.65 -24.2 67.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.951 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.559 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -87.23 -59.55 2.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.848 0.356 . . . . 0.0 111.569 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.53 HG23 ' HB2' ' A' ' 102' ' ' ALA . 72.0 mt -55.72 -43.8 74.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.306 -179.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.44 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 2.2 mmtm -51.28 -46.73 62.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.998 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.44 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 22.4 p90 -177.45 91.42 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.002 0.429 . . . . 0.0 111.299 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.559 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 7.0 t -176.92 -98.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.383 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -132.11 64.89 1.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.017 0.437 . . . . 0.0 110.753 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -52.12 -32.63 36.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.584 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -78.98 -23.75 44.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.857 0.361 . . . . 0.0 111.212 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -64.99 -24.57 67.55 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.452 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -89.84 -42.21 11.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.272 179.726 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -68.0 -18.38 64.7 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.589 0.709 . . . . 0.0 109.122 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -76.71 -57.79 3.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.013 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -63.26 -27.03 69.06 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.298 178.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.915 HD13 HD13 ' A' ' 96' ' ' LEU . 2.2 mt -68.97 -48.91 61.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.812 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.408 ' HA ' ' HZ ' ' A' ' 115' ' ' PHE . 52.7 mttt -52.6 -42.56 64.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.05 179.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.66 -42.43 61.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.622 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.549 ' O ' HG12 ' A' ' 77' ' ' VAL . 29.1 tp -51.71 -41.49 61.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.34 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.426 ' HA ' HG12 ' A' ' 77' ' ' VAL . 3.0 tm0? -62.03 -49.72 74.88 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.339 0.59 . . . . 0.0 110.176 178.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.43 -26.22 68.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.939 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.747 ' HA ' HD12 ' A' ' 79' ' ' ILE . 74.6 tttt -81.5 -53.44 6.28 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.463 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 73' ' ' LEU . 7.2 p -58.72 -27.14 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.257 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.504 ' C ' ' H ' ' A' ' 80' ' ' LYS . 4.8 mt-10 -61.37 -50.03 74.54 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.747 HD12 ' HA ' ' A' ' 76' ' ' LYS . 3.1 mt -56.28 -2.71 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.342 178.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.504 ' H ' ' C ' ' A' ' 78' ' ' GLU . 0.4 OUTLIER 78.94 118.3 0.06 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.424 0.631 . . . . 0.0 111.349 179.45 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.419 ' HB3' HD23 ' A' ' 82' ' ' LEU . 3.8 mt-30 177.59 -37.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.479 ' HG ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -141.81 45.06 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.767 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -61.48 -29.24 69.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -70.89 -35.58 72.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.437 ' O ' HG23 ' A' ' 89' ' ' VAL . 38.6 t80 -64.4 -26.13 68.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.874 0.368 . . . . 0.0 110.422 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.423 ' O ' HG12 ' A' ' 90' ' ' VAL . 32.4 t-105 -77.92 -51.72 9.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.489 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -62.23 -18.87 62.35 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.23 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.425 HG21 HD11 ' A' ' 47' ' ' ILE . 40.3 mt -85.45 -60.68 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.06 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 85' ' ' PHE . 50.0 t -50.24 -32.54 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.294 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 91' ' ' GLN . 13.9 p -78.41 -49.23 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.712 0.291 . . . . 0.0 110.49 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.503 ' N ' HG13 ' A' ' 90' ' ' VAL . 40.4 tt0 -52.27 -33.54 42.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.006 178.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.23 4.88 3.21 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.03 6.38 79.02 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.127 -0.559 . . . . 0.0 113.083 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.9 mt -75.79 137.1 23.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.756 0.312 . . . . 0.0 110.874 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.574 ' HA ' HD11 ' A' ' 116' ' ' LEU . 15.2 p -125.42 160.08 30.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.21 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.915 HD13 HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -52.58 176.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.546 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.652 HD12 HH21 ' A' ' 54' ' ' ARG . 1.3 mp -68.82 116.03 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.641 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.32 144.66 31.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.332 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.55 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 0.9 OUTLIER -53.68 -47.43 70.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.616 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -52.69 -33.13 46.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.901 0.381 . . . . 0.0 110.71 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -78.86 -29.9 44.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.491 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.53 ' HB2' HG23 ' A' ' 58' ' ' ILE . . . -155.77 142.59 18.91 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 102' ' ' ALA . 1.1 t 90.01 -69.68 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.106 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 124.67 84.94 0.61 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.78 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.456 ' N ' ' HB2' ' A' ' 99' ' ' LYS . 1.1 p 65.03 12.9 8.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.657 0.265 . . . . 0.0 111.26 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.668 ' O ' HG23 ' A' ' 107' ' ' VAL . 75.6 m -110.86 94.99 5.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.283 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 106' ' ' SER . 1.0 OUTLIER -177.91 146.22 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.883 179.66 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.52 150.28 36.61 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.05 -179.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.24 -12.79 59.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.306 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -84.39 -16.65 42.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.353 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.673 ' HG3' HD12 ' A' ' 96' ' ' LEU . 4.7 tt0 -82.79 -47.16 12.22 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.141 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.568 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.44 -42.86 12.5 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -178.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -80.48 -47.77 13.8 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -63.46 -34.18 77.19 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.408 ' HZ ' ' HA ' ' A' ' 71' ' ' LYS . 7.4 m-85 -69.28 -47.34 64.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.614 0.245 . . . . 0.0 111.543 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.574 HD11 ' HA ' ' A' ' 95' ' ' THR . 1.0 OUTLIER -85.4 10.79 11.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.739 0.304 . . . . 0.0 111.139 -179.784 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.91 155.26 61.3 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.956 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.02 -16.72 50.17 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.502 2.135 . . . . 0.0 112.251 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.1 tttm 56.44 -165.82 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.995 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 19.8 t70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.953 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -56.02 -41.53 76.01 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.692 2.262 . . . . 0.0 112.262 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.1 t -104.54 -44.96 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 63.42 107.97 0.03 OUTLIER Pre-proline 0 CA--C 1.53 0.187 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -51.13 -35.26 51.01 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.538 2.159 . . . . 0.0 112.449 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.91 -36.36 83.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.078 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.426 ' O ' HG12 ' A' ' 11' ' ' VAL . 2.3 mm-40 -74.66 -45.87 41.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.002 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -61.39 -32.35 72.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.548 ' HD1' ' HB1' ' A' ' 23' ' ' ALA . 6.5 t80 -76.6 -48.45 19.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.66 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -57.24 -36.66 71.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.3 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 7' ' ' GLU . 12.8 p -80.14 -40.59 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.285 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.406 HD23 ' HB2' ' A' ' 23' ' ' ALA . 1.3 tp -58.57 -31.8 68.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 9' ' ' PHE . 33.4 m -94.48 -5.43 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.377 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -118.55 36.91 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.226 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.419 ' HG3' ' HG2' ' A' ' 16' ' ' LYS . 3.5 pt20 -116.2 -38.1 3.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.959 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.702 ' HG3' ' H ' ' A' ' 17' ' ' LYS . 27.1 pttt -162.92 -72.3 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.702 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 6.2 tptp -174.94 75.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.781 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.98 1.31 36.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.233 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.2 m 62.2 134.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.475 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -78.0 63.04 2.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.762 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -141.53 -62.47 0.46 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.964 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -65.0 -46.05 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.548 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -70.79 -27.04 63.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.995 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.492 ' O ' HD12 ' A' ' 28' ' ' ILE . 44.2 m -75.48 -59.52 2.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.554 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -54.29 -40.77 68.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.855 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -62.8 -45.97 90.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.635 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -57.16 -44.28 83.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.666 179.645 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 24' ' ' SER . 1.5 mp -65.14 -42.34 94.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.757 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -43.59 98.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.427 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -48.42 81.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.195 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 28' ' ' ILE . 62.4 mt -54.05 -45.62 65.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.245 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.28 -27.9 63.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.378 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -67.16 -28.44 68.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.389 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -82.53 -26.5 32.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.083 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.476 HD21 HD13 ' A' ' 82' ' ' LEU . 1.0 OUTLIER -71.0 -18.38 62.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.488 179.526 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -73.77 -2.45 23.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.72 127.93 28.05 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.635 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -79.38 121.13 24.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.61 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -166.09 148.34 7.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.534 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.519 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 3.5 m -76.18 -49.44 3.18 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.616 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.519 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 12.1 Cg_exo -70.85 -5.68 17.43 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.397 2.064 . . . . 0.0 112.279 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -85.84 -41.01 15.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.135 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -62.21 -28.61 69.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.809 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 57.0 mtt -67.62 -32.6 73.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.298 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -73.75 -29.37 62.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.554 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.73 -52.25 27.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.124 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.45 ' O ' HG22 ' A' ' 50' ' ' ILE . 11.6 mt -58.87 -42.92 87.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.302 179.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -61.0 -25.06 66.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.048 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -82.93 -47.57 11.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.36 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.45 HG22 ' O ' ' A' ' 47' ' ' ILE . 3.7 tt -61.07 -26.1 38.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.445 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 mmt85 -75.75 -55.03 6.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.206 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.82 -35.65 66.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.916 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.2 -51.71 11.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.928 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.477 ' O ' HG23 ' A' ' 58' ' ' ILE . 4.9 mtp-105 -45.93 -43.97 14.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.069 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -70.55 -45.57 65.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.702 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -63.4 -27.54 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.747 0.308 . . . . 0.0 111.36 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.567 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.03 -55.79 3.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.1 -179.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.533 ' HB ' ' HB2' ' A' ' 102' ' ' ALA . 1.7 pp -55.27 -41.86 63.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.477 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.431 ' H ' HG13 ' A' ' 58' ' ' ILE . 30.4 mttp -50.66 -56.57 11.28 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.863 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -177.45 82.61 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.822 0.344 . . . . 0.0 111.489 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.567 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.6 OUTLIER -162.53 -96.0 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.31 179.675 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -134.04 58.34 1.77 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.931 0.396 . . . . 0.0 110.859 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.508 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 5.7 pt-20 -52.84 -42.45 65.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.843 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.518 ' C ' ' OD1' ' A' ' 67' ' ' ASN . 35.0 mt-30 -69.22 -13.84 62.63 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.4 ttt85 -81.94 -58.96 2.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.848 0.356 . . . . 0.0 110.338 178.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -47.96 -46.78 32.7 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.134 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.518 ' OD1' ' C ' ' A' ' 64' ' ' GLN . 0.4 OUTLIER -64.72 -53.35 48.65 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.385 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -41.93 -50.93 4.49 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.259 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -71.71 -31.86 67.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.431 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.814 HD13 HD13 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -60.25 -37.6 80.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.463 179.397 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -68.11 -36.09 79.2 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.142 0.496 . . . . 0.0 109.986 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.15 -41.67 66.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.778 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.729 ' O ' HG13 ' A' ' 77' ' ' VAL . 9.3 tp -63.62 -49.43 73.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.72 179.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.5 -51.76 65.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.22 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -62.28 -46.97 86.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.174 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -56.64 -57.98 10.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.332 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 73' ' ' LEU . 1.5 m -64.66 -27.36 42.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.819 0.343 . . . . 0.0 110.731 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.5 -51.53 69.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.363 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.6 mt -58.22 -86.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.004 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -149.82 99.11 2.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.021 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.26 -82.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.608 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.476 HD13 HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -137.69 73.53 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.814 179.688 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -72.49 -15.06 61.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.532 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.13 -43.74 66.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.514 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.553 ' O ' HG13 ' A' ' 89' ' ' VAL . 34.4 t80 -55.05 -36.04 65.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.58 ' HA ' HG22 ' A' ' 89' ' ' VAL . 68.1 t-105 -77.85 -43.3 30.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -63.56 -23.06 67.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.293 0.568 . . . . 0.0 109.832 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 55.8 mt -85.61 -62.43 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.31 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.58 HG22 ' HA ' ' A' ' 86' ' ' TRP . 33.5 m -51.14 -28.85 7.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.777 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.498 ' HB ' ' O ' ' A' ' 86' ' ' TRP . 0.5 OUTLIER -70.11 -51.65 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.709 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.473 ' N ' HG12 ' A' ' 90' ' ' VAL . 4.7 mm100 -59.0 -40.16 84.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.309 178.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.58 -5.88 6.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.617 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.03 31.56 28.48 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.706 -0.759 . . . . 0.0 113.411 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 28.2 mm -83.31 118.73 31.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.865 0.364 . . . . 0.0 110.331 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.458 ' HA ' HD11 ' A' ' 116' ' ' LEU . 13.9 t -101.64 -167.05 1.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.439 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.814 HD13 HD13 ' A' ' 70' ' ' LEU . 0.7 OUTLIER -110.98 170.11 8.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.313 -179.199 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.511 HG22 ' O ' ' A' ' 97' ' ' ILE . 1.6 mp -64.0 103.4 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.382 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.587 ' HA ' HG11 ' A' ' 107' ' ' VAL . 1.4 m -101.09 144.83 29.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.468 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.58 ' HB2' ' N ' ' A' ' 105' ' ' SER . 0.0 OUTLIER -43.32 -65.6 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.844 179.636 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.435 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 0.1 OUTLIER -51.56 -27.21 10.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.638 -179.458 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -78.59 -34.47 46.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.642 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.533 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . . . -125.34 -75.57 0.59 Allowed 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 33.5 t -109.35 91.58 3.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.861 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 106' ' ' SER . . . -33.88 132.52 0.38 Allowed Glycine 0 CA--C 1.52 0.358 0 CA-C-N 115.855 -0.611 . . . . 0.0 114.503 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.58 ' N ' ' HB2' ' A' ' 99' ' ' LYS . 16.2 m 62.09 -17.53 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.725 ' O ' HG23 ' A' ' 107' ' ' VAL . 0.4 OUTLIER -98.03 88.97 4.38 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.876 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 106' ' ' SER . 1.3 t 178.31 136.27 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.445 178.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.475 HG23 ' H ' ' A' ' 111' ' ' GLU . 12.0 t -74.78 150.6 39.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.173 0.511 . . . . 0.0 112.127 -179.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -77.05 -12.26 59.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.755 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.537 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 4.4 tt0 -83.95 -17.4 40.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.526 -179.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.475 ' H ' HG23 ' A' ' 108' ' ' THR . 5.5 tt0 -85.38 -48.6 8.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.308 -179.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.597 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.33 -38.77 15.94 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -178.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -87.19 -46.85 9.37 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.537 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 4.2 tmtt? -64.99 -27.7 69.01 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -73.11 -47.4 44.6 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.458 HD11 ' HA ' ' A' ' 95' ' ' THR . 1.0 OUTLIER -79.93 -20.65 45.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.748 0.309 . . . . 0.0 111.386 -179.426 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.83 149.94 44.69 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.096 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -73.68 -171.25 0.81 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.508 2.138 . . . . 0.0 112.342 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -112.18 -56.05 2.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.944 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 CA-C-O 120.14 -0.255 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -55.98 160.28 10.52 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.631 2.221 . . . . 0.0 112.301 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.4 t -122.04 139.25 49.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.067 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.625 HD22 ' H ' ' A' ' 6' ' ' ALA . 1.1 t30 -115.44 124.66 29.75 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.493 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 48.8 Cg_exo -56.02 -27.78 66.01 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.455 2.104 . . . . 0.0 112.368 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.625 ' H ' HD22 ' A' ' 4' ' ' ASN . . . -70.34 -33.74 71.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.164 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.492 ' O ' HG23 ' A' ' 11' ' ' VAL . 39.4 mt-10 -73.19 -53.56 10.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.247 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.493 ' OD1' ' HA ' ' A' ' 5' ' ' PRO . 0.6 OUTLIER -61.6 -26.09 67.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.846 -179.735 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.532 ' O ' HG22 ' A' ' 13' ' ' VAL . 42.8 t80 -73.86 -51.88 14.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.366 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -57.36 -36.87 71.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.64 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 7' ' ' GLU . 77.5 t -72.71 -46.36 54.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.686 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.3 tp -54.56 -31.72 57.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.418 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.571 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 16.1 m -94.18 -1.03 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 0.0 111.228 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -123.97 40.32 3.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.4 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -115.77 -47.16 2.81 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.006 0.431 . . . . 0.0 111.124 179.62 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.18 -75.7 0.2 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.477 -178.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -163.13 90.16 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.174 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.571 ' HB3' ' HA ' ' A' ' 13' ' ' VAL . . . -103.6 -9.67 19.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 m 55.49 -92.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.455 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 175.69 50.74 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.72 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -127.66 -70.91 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.19 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -60.24 -46.48 89.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.27 -26.25 63.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.311 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.4 -58.94 2.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.823 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.435 ' O ' HG22 ' A' ' 28' ' ' ILE . 25.4 m-80 -54.77 -41.79 70.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.722 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -60.04 -48.08 83.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.449 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -57.04 -47.6 80.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.629 179.501 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.446 ' HA ' HD12 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -62.59 -33.55 60.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.652 179.82 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.59 -44.97 85.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.915 179.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.85 -43.76 97.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.628 179.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' A' ' 28' ' ' ILE . 91.1 mt -56.76 -50.14 75.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.999 179.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.579 ' HA ' HD12 ' A' ' 35' ' ' LEU . 33.6 mt-10 -53.98 -44.0 70.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.451 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -59.32 -45.64 90.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.958 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -54.19 -31.9 54.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.335 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 32' ' ' GLU . 3.1 mt -79.24 -26.09 42.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.698 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.62 -46.29 84.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.439 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -57.47 -71.38 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.898 179.494 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 37' ' ' THR . 33.9 m120 92.44 61.08 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 O-C-N 123.909 0.756 . . . . 0.0 110.878 179.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.525 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 1.6 mm-40 -127.15 179.85 5.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.552 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.567 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 85.9 m -81.18 -48.77 1.05 Allowed Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.567 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 9.0 Cg_exo -72.18 -10.37 25.74 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.388 2.059 . . . . 0.0 112.327 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -86.79 -37.13 18.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.233 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -68.05 -25.06 65.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.934 0.397 . . . . 0.0 110.658 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 64.0 mtt -68.47 -31.51 70.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.142 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.16 -27.57 53.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.536 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 m -65.38 -52.84 50.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.988 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.444 HD11 HG21 ' A' ' 88' ' ' ILE . 11.2 mt -60.6 -39.18 80.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.312 178.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -26.57 68.06 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.031 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 m -83.89 -47.02 11.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.41 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.8 tt -63.87 -21.49 28.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 121.002 0.43 . . . . 0.0 110.597 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -76.5 -53.61 7.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.876 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.0 -32.1 73.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.932 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.62 -56.44 4.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.987 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.478 ' O ' HG23 ' A' ' 58' ' ' ILE . 38.2 mtt180 -48.85 -43.25 38.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.268 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -66.81 -46.96 73.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.687 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.88 -27.37 68.81 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 111.156 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.587 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -83.41 -57.3 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.531 HG13 ' N ' ' A' ' 59' ' ' LYS . 1.0 OUTLIER -56.07 -38.87 55.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.464 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.531 ' N ' HG13 ' A' ' 58' ' ' ILE . 32.6 mttt -50.5 -56.22 12.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.551 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -178.75 70.29 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.674 0.273 . . . . 0.0 111.42 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.587 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.6 OUTLIER -150.86 -101.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.721 179.819 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -131.26 64.36 1.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.936 0.398 . . . . 0.0 111.399 -179.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -55.03 -35.58 64.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.167 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.604 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 48.5 mt-30 -70.12 -24.87 63.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.98 0.419 . . . . 0.0 111.044 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -71.36 -19.28 62.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.241 0.543 . . . . 0.0 109.558 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.471 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -87.78 -45.61 10.18 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.38 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.623 ' HA ' HD21 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -68.68 -18.7 64.31 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.163 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -75.41 -58.15 3.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.262 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -63.55 -29.51 70.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.879 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.891 HD13 ' HG ' ' A' ' 96' ' ' LEU . 3.4 mt -70.69 -46.95 62.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.449 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -53.35 -40.98 65.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.503 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.73 -43.09 48.65 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.701 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.525 ' O ' HG12 ' A' ' 77' ' ' VAL . 12.3 tp -55.99 -39.08 71.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.355 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.517 ' HA ' HG12 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -63.01 -52.14 64.11 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.421 179.289 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.699 ' O ' HD12 ' A' ' 79' ' ' ILE . 4.8 mt-10 -57.33 -28.76 63.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.985 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -81.84 -54.81 5.05 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.631 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 73' ' ' LEU . 8.5 p -57.39 -29.71 33.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.368 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -53.97 52.35 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.699 HD12 ' O ' ' A' ' 75' ' ' GLU . 3.5 mt -68.25 -77.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.63 178.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -162.46 119.78 2.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -177.58 -80.05 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.686 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.501 ' C ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -125.44 55.43 1.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.902 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -58.15 -17.51 19.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.255 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.95 -35.0 22.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.522 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.6 t80 -71.01 -24.07 62.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.902 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.52 ' HB2' HG21 ' A' ' 77' ' ' VAL . 36.1 t-105 -72.48 -58.57 3.28 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.495 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 23.1 mt-10 -60.93 -17.84 53.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.056 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.444 HG21 HD11 ' A' ' 47' ' ' ILE . 10.9 mt -80.91 -59.97 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.833 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.616 HG13 ' HB ' ' A' ' 94' ' ' ILE . 52.9 t -47.58 -32.78 2.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.625 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.1 p -87.41 -40.13 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.024 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 0.8 OUTLIER -46.06 -29.06 1.35 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.32 178.372 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.9 -43.96 8.7 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 122.72 12.31 5.06 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.9 178.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.616 ' HB ' HG13 ' A' ' 89' ' ' VAL . 9.9 mt -67.53 150.47 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.692 0.282 . . . . 0.0 110.554 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.584 ' HA ' HD11 ' A' ' 116' ' ' LEU . 21.3 p -126.35 173.62 9.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.565 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.891 ' HG ' HD13 ' A' ' 70' ' ' LEU . 1.5 tt -54.21 -113.87 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.26 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.64 HG22 HG21 ' A' ' 107' ' ' VAL . 1.0 OUTLIER -110.14 -37.56 3.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 O-C-N 122.053 -0.404 . . . . 0.0 110.985 179.689 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.444 HG23 ' HB1' ' A' ' 112' ' ' ALA . 0.2 OUTLIER 61.56 125.56 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.045 179.321 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.649 ' HB2' ' HA ' ' A' ' 105' ' ' SER . 0.0 OUTLIER -47.79 -55.84 8.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.611 179.482 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -53.15 -31.07 40.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.199 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.466 ' HG3' HD13 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -108.27 39.98 1.86 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.997 0.427 . . . . 0.0 110.707 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.44 -102.51 0.42 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.2 p -134.78 -9.55 2.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.806 0.336 . . . . 0.0 110.986 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 160.22 61.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.438 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.649 ' HA ' ' HB2' ' A' ' 99' ' ' LYS . 0.5 OUTLIER 52.47 46.48 26.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.723 0.297 . . . . 0.0 111.232 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.824 ' O ' HG23 ' A' ' 107' ' ' VAL . 48.3 m -120.7 90.52 3.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.452 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 106' ' ' SER . 4.1 t -174.63 147.19 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.75 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.478 HG23 ' H ' ' A' ' 111' ' ' GLU . 5.7 t -81.94 150.94 27.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.928 0.394 . . . . 0.0 111.658 -179.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.46 -13.72 61.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.76 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.484 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 26.2 mt-10 -84.82 -17.64 37.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.47 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.825 ' HG3' HD13 ' A' ' 96' ' ' LEU . 2.5 tt0 -85.64 -44.35 12.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.29 -179.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.444 ' HB1' HG23 ' A' ' 98' ' ' THR . . . -87.71 -41.95 12.98 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -87.11 -45.07 11.04 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -177.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.484 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 3.5 tmtp? -66.86 -39.63 87.62 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.599 ' CG ' HD12 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -55.87 -40.6 73.17 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.391 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.602 HD21 ' O ' ' A' ' 94' ' ' ILE . 5.0 mp -98.26 19.85 13.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.652 0.263 . . . . 0.0 111.431 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -121.8 145.65 43.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.938 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -73.65 -173.19 1.27 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.451 2.1 . . . . 0.0 112.334 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -149.0 129.01 13.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.955 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.843 -179.942 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.12 154.46 66.29 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.465 2.11 . . . . 0.0 112.264 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 m -118.54 -36.13 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.469 ' HB3' ' HB2' ' A' ' 7' ' ' GLU . 1.5 t30 65.44 122.24 0.02 OUTLIER Pre-proline 0 CA--C 1.53 0.207 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.2 -37.42 95.49 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.508 2.138 . . . . 0.0 112.476 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.93 -39.74 83.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.273 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.481 ' O ' HG22 ' A' ' 11' ' ' VAL . 6.4 tt0 -68.42 -51.28 45.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.136 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -55.71 -37.62 68.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.522 ' HD1' ' HB1' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -71.55 -45.09 63.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.575 179.777 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -59.53 -40.67 87.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.529 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.528 ' HA ' ' HB2' ' A' ' 14' ' ' LYS . 17.2 m -74.96 -44.39 44.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.501 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.479 HD23 ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -54.75 -32.95 60.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.771 0.32 . . . . 0.0 111.056 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 9' ' ' PHE . 34.1 m -95.11 -10.72 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.99 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.528 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . 12.6 tttt -71.76 -30.29 65.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.257 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.465 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 1.9 pt20 -106.73 -51.33 2.95 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 120.601 -0.44 . . . . 0.0 112.138 -179.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.502 ' O ' ' C ' ' A' ' 17' ' ' LYS . 2.7 tppt? 157.33 -19.99 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.533 0.521 . . . . 0.0 109.894 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -18.08 -64.98 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.373 -0.831 . . . . 0.0 112.121 -179.396 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.01 162.4 33.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.515 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.7 m -87.16 171.63 10.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.748 0.308 . . . . 0.0 110.603 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -56.98 -46.3 82.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.252 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -47.99 -64.45 0.79 Allowed 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -53.46 -50.91 64.3 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.712 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.522 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -62.54 -31.33 72.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.119 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.9 m -67.49 -54.07 23.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.206 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -54.02 -44.51 71.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.258 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -60.89 -48.79 80.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.9 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.427 HD13 ' CD2' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -57.15 -48.11 79.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.065 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.0 -34.86 68.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.089 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.61 -45.91 81.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.005 0.431 . . . . 0.0 110.175 179.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -59.7 -44.5 93.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.948 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.04 -51.06 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.446 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 30.7 mt-10 -54.23 -37.84 65.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.806 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -67.07 -47.06 72.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.346 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -56.45 -28.57 59.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.713 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 32' ' ' GLU . 1.3 mt -60.96 -48.02 83.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.638 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -48.76 -21.49 0.63 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.112 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.34 101.49 12.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.311 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -77.84 54.38 1.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.362 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.441 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 9.3 mm-40 -115.15 138.29 51.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.594 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.52 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 2.5 m -57.26 -49.74 92.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.703 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.52 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 26.7 Cg_exo -62.72 -21.19 72.75 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.218 1.945 . . . . 0.0 112.297 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -83.69 -35.6 24.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -71.16 -22.21 62.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.909 0.385 . . . . 0.0 110.703 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 63.9 mtt -67.66 -30.86 70.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.059 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.24 -28.88 61.45 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.479 179.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.28 -51.81 48.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.892 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.7 mm -59.16 -41.8 84.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.045 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -26.73 67.48 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.152 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.9 m -82.72 -48.49 10.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.341 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.0 tt -59.96 -25.69 33.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.573 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -75.16 -54.9 6.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.179 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.95 -33.21 66.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.818 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.427 ' CD2' HD13 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -75.51 -55.7 5.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.251 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.405 ' O ' HG23 ' A' ' 58' ' ' ILE . 36.4 ttm-85 -51.69 -43.8 62.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.482 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -64.35 -56.13 16.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.67 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.81 -21.09 66.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.68 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.623 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -86.41 -59.97 2.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.784 0.326 . . . . 0.0 111.302 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.494 ' HA ' ' HB3' ' A' ' 63' ' ' GLU . 1.9 pp -56.22 -39.81 61.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.486 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -50.64 -55.14 17.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.691 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -176.08 77.18 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 120.769 0.319 . . . . 0.0 111.507 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.623 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 3.2 t -161.39 -99.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.584 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 65' ' ' ARG . 27.9 mt-10 -131.38 64.33 1.59 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.886 0.374 . . . . 0.0 111.177 -179.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.494 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 4.2 pt-20 -53.3 -36.88 61.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.262 179.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.594 ' HA ' HD21 ' A' ' 67' ' ' ASN . 56.6 mt-30 -65.12 -21.51 66.81 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.136 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.41 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 2.1 ttt85 -74.06 -19.65 60.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.107 0.48 . . . . 0.0 109.925 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.16 -48.32 7.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.265 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.802 HD22 HG21 ' A' ' 97' ' ' ILE . 0.7 OUTLIER -63.27 -18.34 63.47 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.352 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -74.02 -57.41 3.98 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 114.65 -1.159 . . . . 0.0 109.0 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -67.31 -23.67 65.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.886 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.841 HD12 HD13 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -70.31 -54.17 13.72 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.949 0.404 . . . . 0.0 110.021 179.67 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -53.13 -40.9 64.57 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.36 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.36 -43.07 70.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.599 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 tp -52.62 -39.25 61.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.425 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.501 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -67.76 -50.97 54.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.112 178.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -57.63 -31.37 66.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.325 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.759 ' HA ' HD12 ' A' ' 79' ' ' ILE . 40.9 mttt -81.64 -53.68 6.03 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.982 0.42 . . . . 0.0 110.879 -178.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 74' ' ' GLN . 7.7 p -50.94 -29.76 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.406 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.416 ' C ' ' H ' ' A' ' 80' ' ' LYS . 23.4 mt-10 -64.32 -49.41 71.86 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 178.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.759 HD12 ' HA ' ' A' ' 76' ' ' LYS . 4.3 mt -59.46 -5.04 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.864 178.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.56 ' HA ' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER 81.79 119.98 0.05 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.497 179.106 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.686 ' HB3' HD23 ' A' ' 82' ' ' LEU . 1.6 mt-30 174.28 -40.65 0.01 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.739 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.686 HD23 ' HB3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -130.14 42.1 3.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 -179.741 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.56 HD21 ' HA ' ' A' ' 80' ' ' LYS . 0.6 OUTLIER -58.05 -25.87 61.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.755 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -84.84 -37.81 20.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.781 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.501 ' O ' HG23 ' A' ' 89' ' ' VAL . 5.9 t80 -55.83 -44.86 78.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.97 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 25.7 t-105 -59.35 -43.61 92.77 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.51 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -63.59 -37.64 88.1 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 27.1 mt -73.66 -19.24 17.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.08 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.688 ' HA ' HD12 ' A' ' 94' ' ' ILE . 9.7 t -83.33 -38.56 14.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.353 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.5 p -84.66 -35.0 9.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.622 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.94 -50.26 69.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.312 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.34 -5.12 1.48 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.825 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.28 2.78 90.34 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.957 -0.64 . . . . 0.0 113.09 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 89' ' ' VAL . 15.6 mt -60.14 121.5 8.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 117.049 0.424 . . . . 0.0 110.671 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.548 ' HA ' HD11 ' A' ' 116' ' ' LEU . 33.0 p -95.69 -166.49 1.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.521 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.841 HD13 HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -103.56 170.17 8.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.887 -179.615 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.802 HG21 HD22 ' A' ' 67' ' ' ASN . 1.7 mp -71.0 106.66 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.486 ' HA ' HG11 ' A' ' 107' ' ' VAL . 0.2 OUTLIER -106.19 145.24 31.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.803 -179.31 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 105' ' ' SER . 0.0 OUTLIER -46.18 -64.97 0.62 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.502 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.417 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -61.23 -29.74 70.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.996 -179.791 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.442 ' O ' HD13 ' A' ' 58' ' ' ILE . 4.2 mt-10 -82.58 12.66 4.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.784 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -113.38 -76.65 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.3 t -170.24 -78.09 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.25 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -93.98 34.6 4.58 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.969 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' A' ' 99' ' ' LYS . 0.3 OUTLIER 47.21 60.29 3.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.822 0.344 . . . . 0.0 111.406 179.893 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.482 ' O ' HG23 ' A' ' 107' ' ' VAL . 9.3 m -123.72 88.94 3.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.365 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.794 HG21 HG22 ' A' ' 97' ' ' ILE . 1.1 t 179.22 154.27 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.175 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.43 149.91 25.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.192 0.52 . . . . 0.0 111.808 -179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.79 -12.3 58.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.646 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -75.23 -19.6 59.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.232 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.603 ' HG3' HD12 ' A' ' 96' ' ' LEU . 4.2 tt0 -79.9 -49.1 12.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.83 0.348 . . . . 0.0 111.303 -179.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.543 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -76.01 -22.34 55.9 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -87.62 -49.83 6.9 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -70.04 -28.84 65.79 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.441 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . 9.6 m-85 -77.58 -47.45 19.38 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.548 HD11 ' HA ' ' A' ' 95' ' ' THR . 0.4 OUTLIER -83.98 37.86 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.939 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -100.97 154.6 37.06 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -68.86 154.99 70.04 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.545 2.164 . . . . 0.0 112.333 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -116.02 -59.77 1.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.145 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -57.08 -26.03 66.72 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.625 2.217 . . . . 0.0 112.251 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 p -100.97 103.51 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -120.6 143.45 36.32 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.692 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.62 -40.7 82.9 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.524 2.149 . . . . 0.0 112.399 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.61 -34.32 76.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.069 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.521 ' O ' HG22 ' A' ' 11' ' ' VAL . 1.9 tp10 -71.17 -51.95 21.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.932 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -56.55 -33.92 66.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.613 ' O ' HG22 ' A' ' 13' ' ' VAL . 6.0 t80 -73.46 -48.52 32.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.517 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -56.33 -39.43 72.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.198 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 7' ' ' GLU . 17.5 m -77.9 -42.35 28.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.031 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mt -54.43 -33.8 60.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.333 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 9' ' ' PHE . 16.9 m -92.93 -1.77 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.775 0.322 . . . . 0.0 111.311 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.39 41.13 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.414 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.449 ' H ' ' HG3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -115.99 -47.21 2.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.011 0.434 . . . . 0.0 111.032 179.706 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -151.67 -77.96 0.12 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.617 -178.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -159.28 83.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.473 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.85 -7.68 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.798 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 t 65.73 -90.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.218 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 t80 178.0 -36.51 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.13 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.29 -61.65 1.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.032 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -54.54 -50.02 68.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.671 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.573 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -59.91 -39.75 86.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.699 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.603 ' O ' HD12 ' A' ' 28' ' ' ILE . 49.9 m -66.45 -53.79 31.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.646 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -51.41 -49.41 61.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.572 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -47.46 84.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.684 179.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.8 -50.66 69.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.045 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.603 HD12 ' O ' ' A' ' 24' ' ' SER . 1.5 mp -58.53 -41.99 83.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.243 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.02 -45.83 93.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.857 0.361 . . . . 0.0 110.379 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -47.26 83.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.978 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.9 mt -56.92 -50.15 76.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.348 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.507 ' HA ' HD12 ' A' ' 35' ' ' LEU . 39.9 mt-10 -55.55 -43.02 75.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.676 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -59.82 -46.54 88.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.218 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -55.62 -31.93 62.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.904 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 32' ' ' GLU . 3.3 mt -69.48 -18.2 63.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.882 0.373 . . . . 0.0 111.077 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.13 -9.51 53.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.614 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.42 113.61 16.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.473 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -78.06 58.97 2.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.254 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.475 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 6.9 mm-40 -119.5 140.89 49.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.714 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.516 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 2.8 m -60.54 -49.47 89.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.761 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.516 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 32.7 Cg_exo -58.23 -24.32 66.61 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.155 1.904 . . . . 0.0 112.36 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -86.14 -36.72 19.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.013 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -72.2 -23.72 61.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.747 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 48.3 mtt -67.47 -29.46 68.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.887 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.94 -27.75 54.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.476 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.6 m -65.79 -51.13 61.56 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.82 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.466 ' O ' HG22 ' A' ' 50' ' ' ILE . 5.5 mt -60.57 -39.47 81.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.84 178.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.91 -25.38 66.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.799 178.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.1 m -83.09 -43.34 16.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.955 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.471 HG12 ' HZ ' ' A' ' 66' ' ' PHE . 3.0 tt -65.97 -28.12 42.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.724 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -77.62 -30.81 52.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.724 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.79 -34.09 57.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.936 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -80.37 -49.27 11.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.89 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.483 ' O ' HD13 ' A' ' 58' ' ' ILE . 4.0 tmt_? -52.34 -28.86 20.99 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.469 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -84.06 -53.58 5.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.283 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.11 -24.74 67.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.876 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.579 ' HA ' ' HB3' ' A' ' 61' ' ' SER . . . -87.06 -59.76 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 0.0 111.702 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.483 HD13 ' O ' ' A' ' 54' ' ' ARG . 1.7 mp -55.43 -42.5 67.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.027 -179.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.439 ' HB3' ' HD1' ' A' ' 60' ' ' PHE . 1.1 mttt -50.02 -48.95 52.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.468 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.439 ' HD1' ' HB3' ' A' ' 59' ' ' LYS . 22.1 p90 -176.27 88.26 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 121.126 0.488 . . . . 0.0 111.169 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.579 ' HB3' ' HA ' ' A' ' 57' ' ' ALA . 6.6 t -174.08 -99.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.622 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -132.34 64.63 1.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.94 0.4 . . . . 0.0 111.238 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.48 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 9.1 pt-20 -53.47 -33.93 56.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.302 179.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.598 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 60.8 mt-30 -69.53 -20.61 63.69 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.923 0.392 . . . . 0.0 111.063 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -74.24 -18.63 60.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.338 0.589 . . . . 0.0 109.506 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.471 ' HZ ' HG12 ' A' ' 50' ' ' ILE . 13.0 t80 -87.2 -46.91 9.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.15 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.598 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 0.6 OUTLIER -68.4 -18.86 64.55 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.744 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -72.25 -57.63 4.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.867 -1.06 . . . . 0.0 108.998 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -65.53 -28.84 69.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.677 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.714 HD13 HD13 ' A' ' 96' ' ' LEU . 7.9 mt -65.26 -50.83 64.25 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.672 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.6 mttt -54.08 -40.39 67.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.479 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.11 -43.37 57.82 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.108 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.639 ' O ' HG12 ' A' ' 77' ' ' VAL . 14.4 tp -58.35 -42.58 87.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.51 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -58.69 -51.55 69.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.811 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.91 -25.79 65.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.173 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.405 ' HG2' HE22 ' A' ' 81' ' ' GLN . 21.6 mttm -82.07 -51.99 7.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.812 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.7 HG21 ' HB2' ' A' ' 86' ' ' TRP . 2.9 p -61.94 -36.74 75.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.829 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.88 -53.19 59.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.907 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.2 mm -61.18 -91.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.744 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -160.94 106.94 1.42 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.744 0.306 . . . . 0.0 110.968 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.405 HE22 ' HG2' ' A' ' 76' ' ' LYS . 2.1 mt-30 -169.72 -68.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.063 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.592 ' HB2' ' HB2' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -131.34 56.44 1.8 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.004 -179.696 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.2 -30.63 66.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.033 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -71.27 -37.02 71.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.592 ' HB2' ' HB2' ' A' ' 82' ' ' LEU . 6.3 t80 -54.91 -48.36 73.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.995 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.7 ' HB2' HG21 ' A' ' 77' ' ' VAL . 10.9 t-105 -55.83 -47.21 77.62 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.336 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -63.82 -36.59 84.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.922 0.391 . . . . 0.0 110.32 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.0 mt -77.98 -18.2 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.483 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 85' ' ' PHE . 14.7 t -84.53 -36.43 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.935 -179.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.46 HG23 HD23 ' A' ' 116' ' ' LEU . 11.2 p -81.23 -38.57 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.226 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -59.41 -45.77 90.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.557 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -3.84 0.79 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.404 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 85.73 -28.52 4.88 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.964 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.546 HD12 HG13 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -55.02 134.28 18.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.853 0.326 . . . . 0.0 110.727 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.489 ' HB ' HD13 ' A' ' 116' ' ' LEU . 1.3 p -125.99 168.15 14.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.793 HD12 ' HG3' ' A' ' 111' ' ' GLU . 0.1 OUTLIER -51.76 169.85 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.246 179.72 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.55 ' O ' HG11 ' A' ' 107' ' ' VAL . 1.5 mp -71.95 119.3 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.481 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.507 ' HB ' ' HB2' ' A' ' 101' ' ' GLU . 0.2 OUTLIER -104.83 148.19 26.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.977 0.418 . . . . 0.0 112.083 -179.602 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.563 ' HG3' ' H ' ' A' ' 107' ' ' VAL . 22.9 tttt -25.91 -88.29 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.19 -0.914 . . . . 0.0 113.394 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.525 ' C ' ' H ' ' A' ' 102' ' ' ALA . 3.4 pt-20 -67.31 -7.22 22.84 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.507 ' HB2' ' HB ' ' A' ' 98' ' ' THR . 2.7 tp10 -68.3 14.84 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.788 0.328 . . . . 0.0 111.241 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.525 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -128.35 -60.01 1.14 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.82 -45.79 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.706 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 176.72 45.96 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.761 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.4 t -119.68 134.59 55.17 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.201 0.524 . . . . 0.0 111.712 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.509 ' HA ' ' HG3' ' A' ' 99' ' ' LYS . 65.4 m -65.53 139.68 58.49 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.415 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.563 ' H ' ' HG3' ' A' ' 99' ' ' LYS . 5.1 t -143.13 134.47 23.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.39 179.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.39 149.96 15.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.524 -178.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' ' 113' ' ' LYS . . . -81.59 -11.97 58.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.948 178.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.472 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 3.2 tt0 -85.08 -16.41 40.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.184 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.793 ' HG3' HD12 ' A' ' 96' ' ' LEU . 6.7 tt0 -84.01 -47.11 11.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.347 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.493 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.9 -41.99 12.82 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -178.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 109' ' ' ALA . 16.6 mttt -85.16 -43.3 13.96 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -177.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.472 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 2.0 tmtp? -67.45 -31.77 72.17 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -178.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -75.55 -47.76 25.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.68 0.276 . . . . 0.0 111.731 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.489 HD13 ' HB ' ' A' ' 95' ' ' THR . 1.5 mp -104.72 66.87 0.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 111.094 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.59 152.48 72.7 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.07 -69.03 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.455 2.104 . . . . 0.0 112.297 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -125.82 -26.19 3.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -55.51 155.34 21.36 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.647 2.231 . . . . 0.0 112.35 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.2 m -122.44 -38.78 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.227 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.562 HD22 ' H ' ' A' ' 6' ' ' ALA . 0.1 OUTLIER 62.83 107.05 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.831 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.439 ' HD2' ' HE2' ' A' ' 45' ' ' LYS . 69.0 Cg_exo -51.12 -30.56 32.44 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.466 2.111 . . . . 0.0 112.56 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.562 ' H ' HD22 ' A' ' 4' ' ' ASN . . . -66.41 -37.8 86.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.984 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.455 ' O ' HG22 ' A' ' 11' ' ' VAL . 30.4 mt-10 -76.04 -46.29 30.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -60.98 -30.34 70.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.623 ' O ' HG22 ' A' ' 13' ' ' VAL . 1.1 t80 -76.69 -48.3 19.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.63 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -59.91 -35.16 74.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.243 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 7' ' ' GLU . 31.6 m -79.17 -43.53 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.347 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.424 ' N ' HG23 ' A' ' 11' ' ' VAL . 0.8 OUTLIER -57.68 -28.89 64.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.258 179.846 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 9' ' ' PHE . 20.6 m -94.75 -2.43 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.831 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -118.42 44.19 2.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.701 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -116.2 -48.41 2.72 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.714 0.292 . . . . 0.0 110.88 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HG2' ' HD2' ' A' ' 17' ' ' LYS . 0.2 OUTLIER 172.3 -46.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.019 -179.7 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 10.5 mttt -152.23 154.84 36.56 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.822 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 17' ' ' LYS . . . 169.6 -22.62 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.37 -179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m 70.87 118.14 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.547 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -54.72 -35.62 63.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.074 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -57.83 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.778 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.04 -49.99 70.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.734 0.302 . . . . 0.0 111.481 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.563 ' HB1' ' HD1' ' A' ' 9' ' ' PHE . . . -60.88 -37.62 82.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.293 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.9 p -66.62 -52.59 43.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.555 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -53.85 -48.24 70.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.597 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -59.13 -48.35 81.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.951 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -56.85 -49.03 76.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.14 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.1 tp -61.83 -36.41 73.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.304 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.67 -45.91 81.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.864 0.364 . . . . 0.0 110.178 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -58.81 -45.45 89.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.958 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.1 mt -57.9 -50.28 78.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.434 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.56 ' HA ' HD12 ' A' ' 35' ' ' LEU . 34.0 mt-10 -53.77 -45.47 70.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.718 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -58.78 -46.4 87.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.265 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -55.8 -31.92 63.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.7 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 32' ' ' GLU . 2.8 mt -82.11 -19.0 40.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.776 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -75.25 -0.04 18.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.058 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -142.65 134.05 26.33 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.036 0.446 . . . . 0.0 110.615 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -83.52 114.79 21.74 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.63 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -165.08 140.29 5.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.696 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.512 ' HB ' ' HD3' ' A' ' 41' ' ' PRO . 2.4 m -69.07 -49.76 23.74 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.606 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.512 ' HD3' ' HB ' ' A' ' 40' ' ' THR . 17.3 Cg_exo -67.01 -13.89 41.6 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.364 2.043 . . . . 0.0 112.281 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -86.11 -48.27 8.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.005 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.445 ' HE1' HD23 ' A' ' 35' ' ' LEU . 11.2 m-85 -63.83 -37.55 87.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.751 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.9 ttt -53.3 -31.22 42.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.776 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.439 ' HE2' ' HD2' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -74.9 -56.27 4.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.319 179.624 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 49' ' ' CYS . 0.7 OUTLIER -43.86 -49.1 8.38 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.869 178.822 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 70.1 mt -55.87 -52.04 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.892 0.377 . . . . 0.0 110.479 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.08 -18.53 65.38 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.307 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 46' ' ' SER . 1.8 m -78.71 -42.41 28.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.869 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.428 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -68.0 -28.01 39.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.226 179.064 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -77.44 -30.18 53.22 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.769 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.76 -36.25 37.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.376 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.78 -47.13 19.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.453 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.448 ' O ' HG23 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -46.58 -46.09 19.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.713 179.219 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -68.34 -44.87 74.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.529 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.85 -28.35 69.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.46 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.596 ' HA ' ' HB2' ' A' ' 61' ' ' SER . . . -86.23 -55.63 3.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.207 -179.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.512 HG13 ' H ' ' A' ' 59' ' ' LYS . 1.1 pt -54.6 -41.55 55.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.507 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.512 ' H ' HG13 ' A' ' 58' ' ' ILE . 48.3 mttt -50.67 -56.29 12.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.727 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -179.68 79.13 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.855 0.359 . . . . 0.0 111.451 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.596 ' HB2' ' HA ' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -159.54 -100.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.358 179.677 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -132.74 63.2 1.64 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.991 0.424 . . . . 0.0 111.111 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -54.13 -35.08 61.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.532 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.548 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 38.2 mt-30 -74.27 -22.71 59.19 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.776 0.322 . . . . 0.0 111.219 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 65' ' ' ARG . 1.5 ttm-85 -71.96 -19.5 61.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.128 0.489 . . . . 0.0 109.937 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.437 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -88.25 -43.22 11.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.516 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.548 ' OD1' ' HA ' ' A' ' 64' ' ' GLN . 1.8 p30 -72.23 -21.72 61.35 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -67.14 -58.11 5.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.784 -1.098 . . . . 0.0 108.796 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -67.88 -28.91 67.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.764 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.832 HD13 HD13 ' A' ' 96' ' ' LEU . 3.6 mt -64.17 -46.99 81.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.491 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -56.43 -37.9 70.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.434 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.37 -43.67 49.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.781 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.676 HD11 HD11 ' A' ' 82' ' ' LEU . 21.5 tp -59.8 -41.42 91.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.575 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -52.14 66.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.855 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.438 ' O ' HD12 ' A' ' 79' ' ' ILE . 12.1 mt-10 -59.12 -27.42 65.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -81.28 -54.73 5.24 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.569 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.673 HG12 ' O ' ' A' ' 73' ' ' LEU . 4.8 p -59.87 -30.06 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.911 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.26 -52.09 62.47 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.454 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.438 HD12 ' O ' ' A' ' 75' ' ' GLU . 3.9 mt -62.14 -88.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.748 179.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -160.57 112.01 1.89 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.755 0.312 . . . . 0.0 111.168 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.55 ' HB3' HD23 ' A' ' 82' ' ' LEU . 3.5 mt-30 -171.28 -67.6 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.676 HD11 HD11 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -132.7 56.56 1.84 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.907 -179.888 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -57.56 -29.03 64.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.292 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -75.23 -35.94 61.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.139 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.669 ' O ' HG22 ' A' ' 89' ' ' VAL . 25.7 t80 -63.93 -28.85 70.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.136 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 42.5 t-105 -77.59 -51.54 10.49 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.844 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -61.3 -19.18 61.47 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.131 0.491 . . . . 0.0 109.933 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.438 ' O ' ' HG2' ' A' ' 91' ' ' GLN . 34.4 mt -85.07 -60.88 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.388 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.669 HG22 ' O ' ' A' ' 85' ' ' PHE . 5.3 m -49.76 -31.59 6.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.48 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 91' ' ' GLN . 8.7 p -73.01 -52.93 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.363 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.515 ' N ' HG13 ' A' ' 90' ' ' VAL . 9.5 pt20 -56.94 -37.1 71.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.829 178.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.67 -5.46 1.28 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.688 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 84.95 -21.5 11.44 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.74 -0.743 . . . . 0.0 114.132 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.453 HD11 HG12 ' A' ' 89' ' ' VAL . 20.1 pt -64.43 137.39 24.96 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 117.853 0.827 . . . . 0.0 110.631 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.505 ' HB ' HD13 ' A' ' 116' ' ' LEU . 12.8 p -127.68 167.9 15.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.531 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.832 HD13 HD13 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -50.5 170.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.511 179.713 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.459 HG22 ' O ' ' A' ' 97' ' ' ILE . 1.2 mp -66.39 114.18 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.017 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.7 142.4 32.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.031 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.635 ' HB3' ' HB ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -46.59 -42.51 16.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.983 179.876 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.11 -29.83 0.67 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.596 -179.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.445 ' HB3' ' HB ' ' A' ' 58' ' ' ILE . 34.9 mt-10 -92.41 -52.12 4.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.521 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.22 -96.87 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.9 t -120.87 -1.28 9.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.862 0.363 . . . . 0.0 111.026 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.445 ' C ' ' H ' ' A' ' 106' ' ' SER . . . 91.16 121.12 2.48 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.884 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.589 ' N ' ' HB2' ' A' ' 99' ' ' LYS . 3.4 m 66.69 -15.36 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.721 ' O ' HG23 ' A' ' 107' ' ' VAL . 3.6 m -92.52 91.15 7.46 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 106' ' ' SER . 1.1 t 172.78 131.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.507 178.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.432 HG23 ' H ' ' A' ' 111' ' ' GLU . 12.3 t -65.01 150.71 47.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.341 0.591 . . . . 0.0 112.347 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.36 -11.69 59.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.412 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.552 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 28.4 mt-10 -82.3 -17.19 46.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.367 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.538 ' HG3' HD12 ' A' ' 96' ' ' LEU . 8.9 tt0 -85.37 -50.68 7.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.201 -179.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.53 ' HA ' ' HB2' ' A' ' 96' ' ' LEU . . . -87.62 -37.28 16.93 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -178.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.445 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -87.22 -46.15 9.99 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -177.65 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.552 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -66.4 -28.91 68.99 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.352 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -71.42 -47.58 55.02 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.505 HD13 ' HB ' ' A' ' 95' ' ' THR . 1.4 mp -92.2 -18.01 24.06 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -178.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 113' ' ' LYS . . . -122.48 106.55 35.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.294 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.56 -18.05 20.22 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.477 2.118 . . . . 0.0 112.27 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -147.53 -58.92 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 stop_ save_