data_2n7l_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 2n7l _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.888 0.375 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' C' ' 12' ' ' LEU . . . -62.51 -41.53 98.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.422 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.462 ' O ' ' O ' ' C' ' 12' ' ' LEU . 53.0 t -63.21 -42.84 97.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.989 0.423 . . . . 0.0 110.717 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -63.81 -39.04 93.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.06 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -86.65 -31.02 21.31 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.264 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' C' ' 8' ' ' ALA . 39.6 mt -112.82 134.7 54.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.994 0.426 . . . . 0.0 110.578 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 69.2 p -85.82 171.75 11.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.49 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -60.22 -44.61 95.04 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.474 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.63 -40.62 92.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.146 0.498 . . . . 0.0 110.139 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -65.3 -38.86 91.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.225 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -59.41 -42.75 92.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.997 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -62.02 -40.44 95.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.007 0.432 . . . . 0.0 110.05 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -63.22 -40.13 96.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.946 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -57.29 -46.23 83.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.459 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.19 -39.98 88.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.511 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.19 -43.31 99.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 110.331 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.6 -40.61 97.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.519 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -60.41 -44.04 96.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.434 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -59.74 -41.91 92.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.533 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.58 -44.14 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.054 0.455 . . . . 0.0 110.329 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . 0.447 ' O ' ' OE1' ' C' ' 40' ' ' GLU . 8.1 m-85 -66.98 -30.98 71.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.387 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 95.1 t -71.69 -25.33 24.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.35 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 mt -67.51 126.91 30.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.519 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.21 -1.82 86.5 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.33 123.86 18.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 110.366 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -66.13 -43.18 87.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 54.4 p-10 -107.72 12.38 27.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.71 -4.96 85.82 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 56.8 m -128.79 151.03 50.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.848 0.356 . . . . 0.0 110.602 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 11.1 tt -42.05 138.65 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.448 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 15.9 t -141.0 -166.75 2.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.478 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.0 p -67.16 -38.32 85.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.403 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -66.73 -42.05 86.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.723 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' C' ' 27' ' ' PHE . 9.6 tp10 -65.11 -49.69 69.0 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.285 0.564 . . . . 0.0 110.823 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 27.2 tp -67.21 -39.28 86.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.699 0.761 . . . . 0.0 109.411 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.87 -33.89 88.44 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -59.92 -48.91 79.77 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.151 0.501 . . . . 0.0 110.677 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 p -66.14 -33.09 61.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.481 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.0 mmt -63.34 -41.38 98.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.648 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 mtp-105 -62.49 -40.92 98.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.083 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 27.0 ttp -61.56 -41.25 97.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.675 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 90.8 mt -67.35 -12.36 59.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.426 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.9 7.43 57.56 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -98.94 148.95 23.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.65 0.262 . . . . 0.0 110.363 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -132.34 70.93 79.83 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.181 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -72.77 147.34 44.49 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.711 2.274 . . . . 0.0 112.527 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 74.2 p -72.66 152.6 91.52 Favored Pre-proline 0 N--CA 1.45 -0.466 0 C-N-CA 120.117 -0.633 . . . . 0.0 111.006 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.61 -37.16 63.02 Favored 'Trans proline' 0 N--CA 1.498 1.738 0 C-N-CA 122.171 1.914 . . . . 0.0 112.052 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -64.2 -39.94 95.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.822 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.46 -40.88 98.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.342 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 98.3 mt -67.65 -40.16 84.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.683 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -63.74 -42.62 97.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.618 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.45 -39.97 92.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 15.1 mmt -61.03 -43.76 98.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.27 -45.23 94.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.295 0.569 . . . . 0.0 110.298 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -62.72 -40.35 96.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -66.05 -43.34 87.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.48 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -81.11 -20.79 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.83 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -57.2 140.62 49.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.061 0.458 . . . . 0.0 110.544 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -70.41 -44.72 67.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.58 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 48.3 p-10 -111.85 3.83 17.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.13 24.3 76.66 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 93.2 p -62.45 -22.69 66.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.726 0.298 . . . . 0.0 110.761 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.78 -12.45 65.92 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 62.7 m -134.34 137.56 44.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.757 0.313 . . . . 0.0 110.238 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 42.2 t -98.3 118.54 45.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' C' ' 75' ' ' ASP . 2.6 p30 -87.01 -176.46 5.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.628 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -58.6 -49.28 78.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . 0.537 ' N ' ' OD1' ' C' ' 73' ' ' ASP . 35.3 t70 -61.03 -48.81 80.06 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.055 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.47 -39.82 94.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.621 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -64.85 -40.74 95.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.774 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 tt -60.76 -52.21 66.08 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.978 0.418 . . . . 0.0 111.1 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 35.3 m -67.52 -31.63 53.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.664 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 65.6 ttp -61.32 -44.12 97.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.412 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 5.6 tpt -64.71 -42.9 94.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.961 0.41 . . . . 0.0 110.144 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.47 -42.52 96.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.465 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.724 -179.732 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 101' ' ' ILE . . . . . 0.408 ' H ' HD12 ' C' ' 101' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.911 0.386 . . . . 0.0 110.65 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 56.9 m -85.31 148.61 25.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.625 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.44 94.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.418 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -62.89 -42.6 99.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.438 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.67 -44.06 96.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.627 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 65.9 ttp -63.42 -42.96 98.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.546 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 1.6 ttp -60.63 -44.32 96.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.372 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -63.67 -40.07 95.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.437 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.66 -40.8 96.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.66 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.43 -40.49 97.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.476 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 2.5 mp -72.22 -31.45 65.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.718 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.687 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.605 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.464 0.173 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.33 -48.18 82.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.944 0.402 . . . . 0.0 111.485 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.4 HG13 ' N ' ' C' ' 10' ' ' GLU . 0.4 OUTLIER -68.24 -36.04 73.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.571 -179.519 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . 0.4 ' N ' HG13 ' C' ' 9' ' ' VAL . 88.6 tt0 -69.61 -44.77 70.02 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.811 -179.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -71.05 -40.34 71.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.639 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 86.7 mt -86.19 144.64 27.36 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.429 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' THR . . . . . 0.418 ' HG1' ' NE2' ' C' ' 16' ' ' GLN . 48.2 p -103.17 -179.75 4.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.616 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -58.0 -42.14 84.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.323 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.97 -46.67 89.8 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.386 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . 0.503 ' NE2' ' N ' ' C' ' 16' ' ' GLN . 0.9 OUTLIER -63.82 -39.17 93.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.052 0.453 . . . . 0.0 110.382 179.673 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -60.96 -40.41 93.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.51 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -61.12 -43.09 99.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.18 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.36 -39.37 94.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.54 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -63.14 -44.41 95.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.717 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.89 -41.1 97.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.975 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.59 -46.5 89.61 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.573 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.66 -40.76 95.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.452 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -64.7 -38.92 92.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.346 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -59.54 -43.79 93.39 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.342 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 98.3 mt -70.5 -41.18 78.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.124 0.488 . . . . 0.0 110.333 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -41.22 89.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.822 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 10.3 m -90.96 24.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 63.3 tp -62.52 125.61 24.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.263 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.02 -10.93 73.4 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -112.29 91.78 3.78 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.974 0.416 . . . . 0.0 110.274 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -62.51 -19.87 64.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.344 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -63.76 -24.48 67.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.556 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.58 14.11 82.33 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 68.5 m -115.57 146.54 41.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.683 0.278 . . . . 0.0 110.536 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 12.5 mm -83.14 122.57 37.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.084 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 22.6 t -121.12 -164.62 1.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.416 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 66.7 p -66.36 -36.97 84.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.314 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.32 -43.17 95.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.86 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.06 -48.02 77.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.019 0.438 . . . . 0.0 110.785 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.59 -37.26 73.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.548 0.69 . . . . 0.0 110.575 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.04 -32.57 71.31 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -58.77 -44.5 90.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.846 0.355 . . . . 0.0 110.296 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 52.9 t -62.66 -41.49 92.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.025 0.441 . . . . 0.0 109.997 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.3 mmt -59.7 -42.45 93.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.244 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -64.12 -37.01 85.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.363 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 53.6 ttm -56.52 -43.65 80.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.746 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.52 -7.83 55.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.494 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.66 13.37 59.68 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -103.71 136.31 43.65 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -128.58 81.39 70.76 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-O 120.935 0.398 . . . . 0.0 110.287 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -76.13 161.69 35.12 Favored 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.869 2.379 . . . . 0.0 112.639 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 29.8 p -67.35 150.68 97.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.656 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -63.58 -29.04 70.05 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 122.485 2.123 . . . . 0.0 112.158 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -65.05 -41.87 94.76 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 121.562 0.696 . . . . 0.0 110.645 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -70.9 -35.7 72.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.595 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.84 -45.16 95.61 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.298 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -68.82 -33.52 73.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.606 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -62.99 -41.47 99.58 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.808 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 67.7 mtt -64.14 -40.98 97.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 38.2 mm -63.63 -43.41 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.698 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -58.77 -47.26 85.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.389 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -63.89 -43.55 95.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.004 0.431 . . . . 0.0 110.931 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' C' ' 65' ' ' ASP . 58.2 t -66.54 -39.17 83.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.961 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 50.2 t0 -35.27 142.77 0.05 Allowed 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.747 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . 0.548 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 42.5 tt0 -84.74 -50.58 7.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.303 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -103.17 2.59 34.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.016 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.01 23.84 74.46 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 69' ' ' SER . . . . . 0.461 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 95.4 p -63.81 -19.45 65.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 0.0 110.777 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.0 -11.17 71.21 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 92.4 m -139.06 141.75 38.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.657 0.265 . . . . 0.0 110.764 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 92.8 t -101.24 122.6 53.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.495 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -101.8 -177.93 3.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.643 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -59.49 -47.06 86.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.737 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -59.32 -49.55 77.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.9 -38.08 89.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.665 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -59.16 -48.07 82.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.824 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.69 -45.08 93.18 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.374 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.84 -46.18 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.88 0.371 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 40.8 mtp -62.6 -40.77 97.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 9.2 tpt -61.94 -44.41 96.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.417 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.92 -45.56 94.41 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.149 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.161 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.146 -179.265 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 101' ' ' ILE . . . . . 0.41 HD12 HG23 ' C' ' 101' ' ' ILE . 91.4 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.922 0.392 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 68.3 m -70.69 153.32 42.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.57 91.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.824 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -58.2 -45.51 87.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.57 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.18 -41.24 97.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 110.39 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 48.0 tpp -67.06 -40.25 87.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.501 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 61.7 ttp -60.29 -46.87 88.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.708 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -61.33 -45.57 93.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.487 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 109' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' C' ' 112' ' ' GLY . . . -63.87 -39.35 93.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.533 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 25.2 tp -68.09 -41.62 81.59 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.548 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.99 -50.22 17.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.489 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 112' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' C' ' 109' ' ' ALA . . . . . . . . 0 CA--C 1.521 0.425 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.701 0.286 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.09 -46.91 88.01 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.299 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.49 ' O ' ' O ' ' C' ' 12' ' ' LEU . 21.4 m -75.18 -32.54 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.189 0.519 . . . . 0.0 110.42 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -60.19 -39.45 86.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.284 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -88.22 -33.48 18.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.279 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.49 ' O ' ' O ' ' C' ' 9' ' ' VAL . 68.8 mt -110.73 140.05 45.47 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.033 0.444 . . . . 0.0 110.872 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 67.3 p -69.44 156.82 38.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.525 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -64.34 -42.08 96.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.657 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -62.76 -42.63 99.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.691 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -64.19 -38.89 92.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.914 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -63.27 -45.27 92.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.636 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -62.96 -39.69 95.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.658 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.9 -42.61 99.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.634 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -67.45 -35.98 80.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.124 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.66 -47.06 83.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.333 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.42 98.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.906 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.53 94.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.672 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . 0.461 ' CD2' ' CE1' ' C' ' 74' ' ' PHE . 69.3 t80 -58.3 -39.43 79.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.66 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -49.76 -28.96 6.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.536 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.62 -38.96 83.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.378 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -61.03 -29.79 69.93 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.665 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . 0.462 ' O ' ' CG1' ' C' ' 28' ' ' VAL . 58.5 t -83.69 26.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.424 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 33.1 tp -60.72 101.92 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.014 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.8 39.8 48.02 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.15 135.45 49.35 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.609 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -66.19 -43.22 87.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.519 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -105.08 10.92 33.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.704 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.18 3.77 90.61 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' SER . . . . . 0.433 ' OG ' ' OD1' ' C' ' 73' ' ' ASP . 37.6 m -135.3 176.56 8.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.988 0.423 . . . . 0.0 110.902 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 36.0 mt -69.61 123.62 23.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.723 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 37.7 t -111.81 169.38 8.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.51 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.68 -33.9 66.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.474 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -63.08 -42.9 99.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.688 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -70.81 -43.74 68.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.054 0.454 . . . . 0.0 111.042 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 tp -64.61 -27.09 68.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.615 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.08 -38.52 93.14 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -43.96 97.71 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.63 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.18 -46.37 96.76 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.47 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 24.8 mmt -64.74 -37.51 87.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.583 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -53.17 -56.47 16.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.854 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 20.7 ptt? -70.31 -21.33 62.94 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.534 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 16.4 tp -65.19 -14.6 61.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.192 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.21 9.6 44.33 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -124.17 140.39 53.01 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -133.21 58.22 33.02 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.75 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -72.05 159.38 50.22 Favored 'Trans proline' 0 C--N 1.307 -1.613 0 C-N-CA 122.911 2.408 . . . . 0.0 112.451 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 17.8 p -63.82 150.24 91.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.838 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -62.05 -30.93 83.49 Favored 'Trans proline' 0 N--CA 1.492 1.441 0 C-N-CA 122.143 1.896 . . . . 0.0 112.245 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.03 -39.98 95.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.234 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -65.53 -42.01 92.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.548 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 16.5 mt -64.57 -40.88 96.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.044 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -61.73 -43.1 99.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.673 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -63.94 -42.34 97.37 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.074 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 65.7 mtt -63.62 -41.45 98.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.68 -40.75 89.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.426 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -59.86 -41.07 90.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.372 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.69 -45.28 75.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.689 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 72.3 t -67.82 -39.12 81.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.76 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' C' ' 69' ' ' SER . 60.5 t0 -52.38 127.62 22.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.962 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -72.67 -42.54 64.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.545 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . 0.467 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 57.6 p30 -90.78 -1.26 57.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.08 -179.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.83 19.71 67.74 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 69' ' ' SER . . . . . 0.535 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 94.3 p -71.37 -16.98 62.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.767 0.317 . . . . 0.0 110.818 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . 0.467 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 86.12 -2.59 87.61 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 70.1 p -131.41 157.28 43.85 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.597 0.237 . . . . 0.0 110.548 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 t -101.96 112.42 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.917 0.389 . . . . 0.0 110.492 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . 0.433 ' OD1' ' OG ' ' C' ' 35' ' ' SER . 90.3 m-20 -85.14 177.27 7.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.524 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . 0.461 ' CE1' ' CD2' ' C' ' 24' ' ' PHE . 5.7 m-85 -59.27 -46.88 87.33 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 1.2 p30 -66.45 -45.29 80.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.904 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . 0.509 ' N ' ' OD1' ' C' ' 75' ' ' ASP . 30.5 tt0 -62.36 -43.7 98.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.827 0.346 . . . . 0.0 110.627 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -61.12 -44.0 98.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.508 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 4.4 tp -55.19 -41.25 71.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.162 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 61.5 t -69.05 -42.6 82.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.939 0.399 . . . . 0.0 110.542 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 18.5 ttp -59.96 -45.19 93.46 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.387 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 10.4 tpp -61.18 -45.65 93.72 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.024 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.46 -45.73 98.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.004 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 . . . . . 0 C--N 1.33 -0.268 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.67 -179.732 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 21.5 tt . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.925 0.393 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 26.6 t -89.23 161.78 16.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.01 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.27 83.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.34 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.19 -42.12 94.4 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.16 0.505 . . . . 0.0 109.995 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.88 -39.78 66.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.069 0.462 . . . . 0.0 110.505 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 16.9 tpt -61.57 -49.4 76.79 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.451 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -66.97 -34.02 76.84 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.249 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -61.93 -46.08 90.9 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.495 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.07 -41.6 94.93 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.831 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.89 -40.21 96.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.682 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.45 -16.71 62.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.48 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.557 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.933 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.662 0.268 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.25 99.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.487 ' O ' ' O ' ' C' ' 12' ' ' LEU . 63.1 t -63.51 -42.71 97.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.452 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.87 -45.65 92.85 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.939 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -71.44 -40.65 70.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' C' ' 9' ' ' VAL . 87.6 mt -89.1 145.69 25.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.8 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 46.0 p -115.7 178.75 4.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.248 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -60.18 -40.61 90.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.847 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . 0.546 ' O ' ' ND2' ' C' ' 18' ' ' ASN . 88.1 tt0 -62.06 -40.89 97.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.147 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -62.66 -40.79 98.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.671 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -61.65 -39.98 93.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.556 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' C' ' 15' ' ' GLU . 0.1 OUTLIER -63.26 -47.81 80.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.273 -179.84 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . 0.472 ' N ' ' CG ' ' C' ' 18' ' ' ASN . 0.8 OUTLIER -65.36 -40.33 93.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.647 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.96 -26.49 68.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.353 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -59.53 -39.72 84.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.207 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.96 97.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.704 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.33 99.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.916 0.388 . . . . 0.0 110.505 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -60.49 -43.34 97.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.506 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -59.19 -41.4 88.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.722 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.19 -41.75 89.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.95 0.405 . . . . 0.0 110.597 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -63.06 -37.57 87.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.177 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 19.0 m -102.49 28.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.81 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.28 121.84 15.73 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.036 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.71 12.27 80.3 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.35 111.25 12.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.775 0.321 . . . . 0.0 110.162 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.05 -39.73 95.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.687 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -87.94 -10.19 51.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.631 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.86 -8.22 80.16 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 97.3 p -102.8 159.63 15.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.708 0.289 . . . . 0.0 110.561 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 1.9 tt -83.3 121.89 36.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.597 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' SER . . . . . 0.449 ' OG ' ' OE1' ' C' ' 40' ' ' GLU . 10.6 p -120.82 -165.58 1.23 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.357 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 46.8 p -64.84 -38.17 90.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.761 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.73 -44.14 96.98 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.957 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . 0.449 ' OE1' ' OG ' ' C' ' 37' ' ' SER . 43.2 mp0 -63.96 -45.02 90.98 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.147 0.499 . . . . 0.0 110.811 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 tt -67.34 -40.46 85.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.855 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.69 -39.91 98.06 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -59.19 -45.9 89.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.3 -42.84 95.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.518 -0.473 . . . . 0.0 109.971 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 13.2 mmt -62.26 -41.57 98.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.985 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.71 -39.67 94.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.989 0.423 . . . . 0.0 110.447 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 64.1 ttp -62.07 -40.59 96.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.183 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 7.4 mp -74.04 -3.85 31.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.67 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.9 7.01 66.61 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -95.57 139.17 32.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.729 0.299 . . . . 0.0 110.592 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -131.74 66.21 77.5 Favored Pre-proline 0 N--CA 1.462 0.169 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -71.67 152.85 59.51 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 122.601 2.2 . . . . 0.0 112.13 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 21.5 p -70.7 151.97 95.27 Favored Pre-proline 0 C--N 1.323 -0.574 0 C-N-CA 120.354 -0.539 . . . . 0.0 111.234 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.79 -39.84 82.42 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 121.842 1.695 . . . . 0.0 112.714 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . 0.477 ' CG ' ' N ' ' C' ' 56' ' ' GLU . 21.3 pt-20 -62.51 -42.4 99.48 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.827 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . 0.477 ' N ' ' CG ' ' C' ' 55' ' ' GLU . 56.7 mt-10 -64.1 -40.7 96.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.495 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.16 -42.46 99.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.977 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -64.49 -42.71 95.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.705 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -64.94 -42.19 94.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.502 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 87.5 mtp -62.95 -42.25 99.76 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.812 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 81.2 mt -62.77 -42.73 97.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.594 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -59.7 -41.8 91.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.638 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.25 -44.42 95.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.894 0.378 . . . . 0.0 110.457 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 57.4 t -76.7 -38.48 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 63.8 t0 -42.09 143.39 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.758 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . 0.519 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 50.8 mt-10 -85.95 -43.3 13.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.202 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.9 p30 -105.67 -0.88 25.18 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.129 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.87 17.85 67.89 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 69' ' ' SER . . . . . 0.47 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 88.2 p -71.57 -15.9 62.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.906 0.384 . . . . 0.0 110.787 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.24 -18.98 56.33 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 84.7 m -134.05 138.7 45.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.556 0.217 . . . . 0.0 110.474 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . 0.413 ' CG1' ' SD ' ' C' ' 80' ' ' MET . 34.4 m -107.46 134.89 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.991 0.424 . . . . 0.0 110.693 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -88.89 -177.3 5.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.398 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.24 -46.97 87.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.401 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -61.34 -46.69 89.18 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.06 0.457 . . . . 0.0 110.862 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -65.52 -37.46 86.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.384 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -59.04 -47.04 86.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.384 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.02 -42.12 89.4 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.353 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 64.5 t -63.5 -40.53 89.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.535 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 80' ' ' MET . . . . . 0.413 ' SD ' ' CG1' ' C' ' 72' ' ' VAL . 82.3 mtp -59.74 -40.03 86.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.208 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 6.1 tpt -55.12 -58.25 8.42 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.118 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 10.7 p -71.95 -40.7 68.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 120.842 0.353 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 51.2 ttt85 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.882 -179.412 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 22.0 pt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.872 0.368 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 83.4 p -73.99 167.09 22.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.648 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.2 -37.99 81.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.435 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -57.88 -49.05 78.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 110.324 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.69 -38.76 92.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.041 0.448 . . . . 0.0 110.588 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.06 -38.32 82.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.424 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 59.0 ttm -57.22 -47.94 80.05 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.106 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -66.05 -42.13 89.9 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.366 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.1 93.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.813 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 5.9 tp -58.72 -61.91 2.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.407 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.12 -39.9 95.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.703 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.636 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.713 0.292 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . 0.545 ' O ' ' N ' ' C' ' 12' ' ' LEU . . . -61.97 -44.4 96.82 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.499 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 75.1 t -67.05 -41.24 86.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.013 0.435 . . . . 0.0 110.656 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -62.82 -44.17 96.85 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.09 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -91.5 -43.05 9.92 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.122 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' C' ' 8' ' ' ALA . 39.2 mt -108.63 159.58 16.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.372 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 58.5 p -102.64 168.2 9.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.394 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.13 -36.62 80.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.388 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -59.83 -42.82 94.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.529 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . 0.454 ' OE1' ' CE ' ' C' ' 107' ' ' MET . 99.5 mm-40 -66.43 -40.5 89.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.759 0.314 . . . . 0.0 110.769 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -62.82 -44.49 96.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.581 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -64.61 -41.16 96.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.671 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -61.34 -40.58 94.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.804 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -61.74 -45.7 92.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.057 0.456 . . . . 0.0 110.431 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -47.38 73.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.424 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.17 93.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.883 0.373 . . . . 0.0 110.812 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.81 -26.03 67.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.738 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . 0.496 ' CE2' ' CG2' ' C' ' 28' ' ' VAL . 91.5 t80 -53.28 -37.35 62.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.352 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -58.18 -40.54 81.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.28 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 48.3 mm -68.44 -42.85 84.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.521 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -65.71 -25.52 67.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.728 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . 0.496 ' CG2' ' CE2' ' C' ' 24' ' ' PHE . 79.6 t -70.93 -22.7 23.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.538 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . 0.44 ' O ' ' OE2' ' C' ' 40' ' ' GLU . 57.5 tp -61.01 124.81 21.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.461 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.15 -11.68 65.56 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.95 122.63 24.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.888 0.375 . . . . 0.0 110.424 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.83 -40.61 97.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.12 -1.92 57.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.58 4.3 90.41 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 67.3 m -122.16 155.48 35.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.845 0.355 . . . . 0.0 110.387 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 71.0 mt -60.58 124.99 15.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.584 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 1.4 m -126.63 -164.11 1.3 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.381 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 97.9 m -61.45 -42.72 99.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.564 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -61.23 -46.0 92.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . 0.44 ' OE2' ' O ' ' C' ' 29' ' ' LEU . 76.2 mm-40 -68.61 -44.31 74.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.943 0.401 . . . . 0.0 110.987 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.19 -26.83 68.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.415 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . 0.459 ' C ' ' NH1' ' C' ' 46' ' ' ARG . . . -58.1 -36.61 82.59 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -59.89 -41.19 91.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.389 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.7 -41.53 92.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.392 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 21.3 mmt -62.24 -39.93 94.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.714 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . 0.459 ' NH1' ' C ' ' C' ' 42' ' ' GLY . 84.5 mtt85 -61.18 -40.13 92.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.225 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 32.1 ttp -62.02 -39.98 94.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.97 0.414 . . . . 0.0 110.677 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.5 mt -73.82 -6.0 44.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.564 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.8 15.45 65.48 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -107.42 135.11 49.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.723 0.297 . . . . 0.0 110.448 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -133.05 61.23 54.68 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.704 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -74.15 164.86 33.31 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.965 2.443 . . . . 0.0 112.194 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 75.2 p -64.39 147.71 96.95 Favored Pre-proline 0 N--CA 1.448 -0.552 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.563 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.71 -31.51 39.75 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.467 2.111 . . . . 0.0 112.28 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 58.5 mp0 -63.31 -44.01 96.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.629 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -66.19 -39.95 90.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.413 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.23 -40.53 97.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.894 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.57 -40.86 98.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.516 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -61.3 -42.73 99.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.327 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 21.3 mmt -63.68 -40.92 98.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.697 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -60.86 -37.33 76.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.278 0.561 . . . . 0.0 110.016 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -65.39 -43.28 91.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.944 0.402 . . . . 0.0 110.049 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -72.07 -40.4 68.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.359 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.98 -30.97 46.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.436 -178.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.462 ' OD2' ' CA ' ' C' ' 70' ' ' GLY . 99.3 m-20 -56.6 113.99 1.85 Allowed 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.275 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -66.88 -43.01 84.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.699 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 59.8 p30 -94.95 -0.25 54.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.762 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.13 24.97 74.66 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 99.5 p -65.09 -16.11 63.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.758 0.313 . . . . 0.0 110.59 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . 0.462 ' CA ' ' OD2' ' C' ' 65' ' ' ASP . . . 92.21 -6.51 78.54 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 66.5 p -132.07 162.3 31.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.765 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -101.92 109.08 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.571 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . 0.416 ' CG ' ' N ' ' C' ' 74' ' ' PHE . 18.8 t70 -78.27 170.02 17.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.572 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . 0.416 ' N ' ' CG ' ' C' ' 73' ' ' ASP . 0.0 OUTLIER -57.12 -47.03 82.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.46 -179.788 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.53 -42.69 97.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.694 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.76 -41.79 91.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.829 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -63.1 -45.34 92.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.332 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 5.1 tp -63.04 -37.27 86.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.431 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.83 -44.68 98.14 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.426 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 81.5 mmm -63.93 -41.49 97.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.853 0.359 . . . . 0.0 111.367 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 31.3 ttm -61.37 -49.93 74.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.704 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 18.4 m -71.34 -38.35 68.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.758 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 68.6 ttp85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.247 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 97.2 mt . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.862 0.363 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 102' ' ' SER . . . . . 0.44 ' OG ' ' OD2' ' C' ' 104' ' ' ASP . 46.8 t -79.57 145.85 32.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.12 0.486 . . . . 0.0 110.812 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.96 -40.45 95.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.73 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 104' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' C' ' 105' ' ' ALA . 2.0 p30 -60.01 -41.18 91.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.694 -179.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 105' ' ' ALA . . . . . 0.555 ' N ' ' OD1' ' C' ' 104' ' ' ASP . . . -62.22 -38.62 89.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.459 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 87.8 mtp -61.41 -44.46 97.1 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.588 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 107' ' ' MET . . . . . 0.454 ' CE ' ' OE1' ' C' ' 16' ' ' GLN . 76.0 mtm -65.03 -40.82 95.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.867 0.365 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -61.72 -45.52 93.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.985 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.54 91.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 5.4 mp -62.31 -43.71 98.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.44 -20.35 64.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.806 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.98 -42.61 98.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.63 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' C' ' 12' ' ' LEU . 60.4 t -62.87 -39.14 83.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.719 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -58.39 -42.64 87.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.313 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.92 -39.73 19.44 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.579 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' C' ' 9' ' ' VAL . 94.2 mt -79.01 140.26 38.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.544 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 70.3 p -109.06 169.3 8.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.4 -39.28 90.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.326 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.41 -46.83 88.61 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.182 0.515 . . . . 0.0 110.673 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -64.48 -40.31 95.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.246 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -62.39 -39.07 92.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.083 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -59.09 -43.4 91.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.403 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.79 -45.62 93.7 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.215 0.531 . . . . 0.0 110.495 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -66.33 -35.6 80.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.599 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -58.06 -46.73 84.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.53 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.85 -43.86 97.99 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.277 0.561 . . . . 0.0 110.532 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.23 -40.02 94.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.418 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -59.36 -45.11 92.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.732 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -58.25 -42.65 86.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.938 0.399 . . . . 0.0 110.267 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.8 mt -67.4 -38.62 81.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.632 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -56.72 -40.03 74.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.604 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 27.6 m -83.84 28.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.583 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.84 120.88 5.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.842 0.353 . . . . 0.0 110.539 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.59 -8.21 74.44 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -115.05 97.93 6.5 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.015 0.436 . . . . 0.0 110.46 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -64.91 -35.74 82.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.562 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -63.0 -26.39 68.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.648 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.16 -7.26 69.36 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 86.9 p -77.48 162.83 26.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.798 0.332 . . . . 0.0 110.513 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 35.0 pt -134.95 144.12 35.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.75 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 4.4 t -132.24 -164.63 1.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.266 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 63.0 p -64.0 -37.01 85.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.491 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -62.23 -47.3 85.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.863 0.363 . . . . 0.0 110.83 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -43.91 88.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.999 0.428 . . . . 0.0 110.314 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . 0.463 ' O ' ' CG ' ' C' ' 45' ' ' MET . 77.4 mt -62.22 -39.51 93.01 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.387 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.75 -39.38 97.36 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.79 -53.4 27.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.689 0.28 . . . . 0.0 111.565 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 11.7 p -67.73 -32.31 56.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.385 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' MET . . . . . 0.463 ' CG ' ' O ' ' C' ' 41' ' ' LEU . 7.2 mmt -60.89 -45.95 92.57 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.779 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -63.06 -40.9 99.08 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.3 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 16.3 tmm? -63.17 -40.62 98.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.768 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 20.5 mt -64.63 -19.15 65.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.681 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 100.11 8.18 51.1 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . 0.436 ' O ' ' O ' ' C' ' 45' ' ' MET . 5.0 pt20 -123.07 139.78 53.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.391 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . 0.403 ' O ' ' OD1' ' C' ' 51' ' ' ASN . 33.4 t-20 -131.7 75.03 76.98 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.816 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -72.15 154.95 57.1 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 122.568 2.179 . . . . 0.0 112.344 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 22.5 p -61.88 136.22 94.89 Favored Pre-proline 0 C--N 1.323 -0.564 0 C-N-CA 119.811 -0.756 . . . . 0.0 111.332 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.83 -38.75 78.66 Favored 'Trans proline' 0 N--CA 1.5 1.885 0 C-N-CA 121.942 1.761 . . . . 0.0 112.479 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -62.12 -43.33 99.07 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.567 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.09 -39.37 93.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 84.4 mt -61.8 -42.74 99.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.717 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -65.0 -40.8 95.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.457 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -62.7 -43.82 97.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.241 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 28.3 ttt -62.1 -44.04 97.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.548 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 88.2 mt -61.37 -43.92 97.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.555 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -65.14 -42.13 94.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.971 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.64 -41.8 98.2 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.262 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 19.7 m -88.27 7.89 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.476 ' OD2' ' N ' ' C' ' 70' ' ' GLY . 29.9 t0 -75.43 125.04 28.21 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.371 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -90.77 -46.81 8.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.149 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 56.2 p-10 -91.87 -1.25 57.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.98 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.06 12.51 62.9 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 87.9 p -66.51 -26.53 67.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.938 0.399 . . . . 0.0 111.047 -179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . 0.476 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 84.57 5.3 86.92 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 27.2 m -129.85 141.93 50.75 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.639 0.257 . . . . 0.0 110.475 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 41.3 t -81.35 117.4 27.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.156 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -93.9 178.19 5.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.523 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -58.54 -48.77 79.77 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.559 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.87 -44.16 93.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.997 0.427 . . . . 0.0 110.544 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.88 -37.65 87.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.473 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -59.4 -45.67 90.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.4 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 99.0 mt -60.88 -39.96 91.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.131 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.29 -42.43 95.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.756 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 48.8 tpp -57.25 -48.7 78.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.305 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 14.8 mmt -65.21 -39.35 92.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.844 0.354 . . . . 0.0 110.968 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.48 -44.68 98.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.721 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.827 -179.825 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 18.1 tt . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.828 0.347 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 52.2 m -92.39 155.8 17.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.77 97.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.861 0.362 . . . . 0.0 110.625 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -63.0 -41.32 99.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.0 0.429 . . . . 0.0 110.524 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.88 -39.32 94.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.522 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 15.5 tpt -59.73 -44.29 93.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.216 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 54.6 ttp -61.89 -46.02 91.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.336 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . 0.55 ' O ' ' N ' ' C' ' 112' ' ' GLY . 77.8 mt-30 -64.21 -39.61 94.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.461 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.27 -41.6 97.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.583 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 10.9 mt -69.48 -47.66 63.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.661 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 4.2 mp -109.29 -52.42 2.77 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.901 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 112' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . . . . . . 0 CA--C 1.524 0.601 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.739 0.305 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.98 94.8 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.293 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.463 ' O ' ' O ' ' C' ' 12' ' ' LEU . 54.0 t -63.45 -38.53 82.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.05 0.453 . . . . 0.0 110.906 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -59.46 -40.23 86.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.731 -179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.37 -40.08 11.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.773 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' C' ' 9' ' ' VAL . 69.2 mt -93.77 140.51 29.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.531 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 65.9 p -90.53 177.66 6.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.688 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -61.52 -36.0 79.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.239 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -59.6 -42.59 92.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.801 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -64.11 -40.41 96.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.935 0.398 . . . . 0.0 110.543 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -61.8 -43.37 98.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.287 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -62.26 -45.54 92.82 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.568 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -62.2 -42.48 99.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.525 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.503 ' CD1' ' C ' ' C' ' 20' ' ' PHE . 0.0 OUTLIER -56.42 -50.54 71.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.569 -179.696 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -63.08 -45.96 89.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.777 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.81 97.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.41 98.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.941 0.4 . . . . 0.0 110.71 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -58.68 -44.42 90.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.249 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -58.65 -41.31 85.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.38 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 1.5 mp -71.43 -39.54 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.403 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.25 -18.72 64.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 53.6 t -71.67 -23.69 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.674 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . 0.425 ' CD2' ' N ' ' C' ' 29' ' ' LEU . 4.3 mm? -60.98 134.41 57.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.881 0.372 . . . . 0.0 110.733 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.37 -5.4 84.77 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.06 101.81 8.79 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.779 0.323 . . . . 0.0 110.471 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -64.85 -41.06 96.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.469 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -64.85 -23.42 67.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.393 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.44 -0.88 83.69 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 97.4 p -105.41 166.4 10.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.734 0.302 . . . . 0.0 110.684 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 67.3 mt -92.81 121.42 43.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 16.7 m -117.46 -171.83 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.664 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 74.9 p -64.52 -38.65 91.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.53 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -64.95 -39.85 94.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.757 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -61.94 -42.91 99.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.801 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 3.0 mt -63.79 -33.74 76.35 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.196 0.522 . . . . 0.0 110.898 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.37 -29.74 63.74 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -59.54 -42.84 93.26 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.373 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 66.8 t -63.21 -47.81 90.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.87 0.367 . . . . 0.0 110.482 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 6.2 mtm -67.65 -39.29 84.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.579 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 79.9 mtt-85 -61.46 -44.66 96.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.719 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 53.3 ttp -63.14 -39.74 95.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.444 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 tp -59.03 -26.38 64.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.336 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.43 33.46 4.82 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.289 -0.725 . . . . 0.0 111.289 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -113.63 179.45 3.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.648 0.261 . . . . 0.0 110.694 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.12 80.89 57.87 Favored Pre-proline 0 CA--C 1.531 0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.98 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -72.19 154.37 56.87 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 122.838 2.359 . . . . 0.0 112.239 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 28.4 p -123.58 150.6 61.79 Favored Pre-proline 0 N--CA 1.448 -0.542 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.782 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -49.14 -44.99 31.33 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 122.298 1.999 . . . . 0.0 112.259 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -63.69 -43.56 96.28 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.982 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -64.77 -41.89 95.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.97 0.414 . . . . 0.0 110.915 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.98 -38.93 89.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.758 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -60.88 -42.62 98.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.547 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -65.7 -41.72 92.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.593 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 28.4 ttt -62.28 -42.0 98.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.243 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 mm -59.68 -43.83 92.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.79 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.46 -41.75 90.42 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.434 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -72.52 -43.29 63.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.919 0.39 . . . . 0.0 110.525 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.44 -39.93 85.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.058 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 58.8 t0 -50.47 146.95 4.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.451 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . 0.537 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 12.7 mm-40 -91.41 -43.37 9.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.988 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -102.22 -2.04 30.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.664 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.33 20.65 69.66 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 69' ' ' SER . . . . . 0.491 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 84.2 p -73.02 -12.34 60.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.736 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.47 -19.33 51.16 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 77.5 p -137.52 160.95 37.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.666 0.269 . . . . 0.0 110.437 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 33.5 m -120.95 112.66 36.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.396 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -75.45 178.0 6.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.722 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -58.58 -49.34 77.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.662 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -66.22 -41.31 90.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.494 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.77 -39.23 90.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.708 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -59.88 -46.68 88.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.381 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.99 -47.02 88.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 0.0 111.096 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.48 -41.86 94.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.479 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 66.7 ttp -59.33 -44.09 92.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.47 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 2.2 tpt -60.6 -42.71 97.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.959 0.409 . . . . 0.0 110.181 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 78.6 t -65.34 -41.2 90.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.623 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.458 -179.276 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 79.0 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.623 0.249 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 44.3 m -93.11 143.9 25.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.861 0.362 . . . . 0.0 110.438 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.04 -35.05 75.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.354 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -58.84 -36.94 75.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.263 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.3 93.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.613 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 2.6 mmm -63.97 -40.31 96.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.521 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 13.1 ttm -60.99 -49.04 79.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.843 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -61.04 -41.98 97.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.688 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.63 -43.79 92.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.935 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 85.7 mt -68.05 -44.26 76.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.203 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -75.06 -49.29 20.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.869 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.514 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 179.738 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.808 0.337 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.6 -46.08 90.0 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -74.11 -34.97 39.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.963 0.411 . . . . 0.0 110.606 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -63.67 -40.03 95.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.574 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . 0.433 ' O ' ' O ' ' C' ' 12' ' ' LEU . 22.0 mt-30 -98.64 19.39 14.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.838 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' C' ' 11' ' ' GLN . 2.3 pp -34.15 153.15 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 O-C-N 123.598 0.561 . . . . 0.0 110.433 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.3 p -115.75 165.51 12.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.469 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -61.01 -39.65 90.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.381 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . 0.438 ' O ' ' OE1' ' C' ' 19' ' ' GLU . 53.7 tp10 -61.29 -43.34 99.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.18 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -60.31 -40.5 90.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.007 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -63.53 -36.69 84.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -58.51 -47.52 83.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.09 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . 0.438 ' OE1' ' O ' ' C' ' 15' ' ' GLU . 7.6 mp0 -67.21 -38.58 85.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.627 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -59.59 -48.59 81.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.925 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -61.5 -40.8 95.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.687 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.04 -41.05 99.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.627 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.58 92.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.414 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.4 -37.45 80.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.172 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.75 -41.64 97.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.507 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 38.1 pt -77.71 -28.17 15.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.811 0.338 . . . . 0.0 111.17 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.5 -45.07 76.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.599 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 35.1 m -73.12 -4.12 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.954 0.407 . . . . 0.0 110.676 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 tt -69.09 110.06 4.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.478 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.69 18.83 76.84 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.55 115.31 27.22 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.667 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -68.81 -41.51 78.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -67.68 -30.06 69.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.768 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.33 4.28 88.96 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.53 -178.85 5.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.657 0.265 . . . . 0.0 110.384 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 31.2 mm -75.47 121.15 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 110.173 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 5.5 t -148.65 -165.08 2.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.611 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.4 p -67.34 -37.1 82.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.515 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 67.2 tttm -63.54 -42.71 98.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.591 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -60.97 -44.83 96.79 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.07 0.462 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tt -65.23 -41.61 94.2 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.055 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.26 -38.89 96.95 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -58.57 -44.1 89.63 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.73 -43.96 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.581 0.705 . . . . 0.0 110.134 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' MET . . . . . 0.506 ' SD ' ' OE1' ' C' ' 50' ' ' GLN . 25.6 mmt -66.77 -39.88 88.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -61.8 -45.23 94.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.669 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 6.2 ptt? -71.28 -22.47 61.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.095 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.65 -3.73 39.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.616 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.84 12.15 66.81 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . 0.506 ' OE1' ' SD ' ' C' ' 45' ' ' MET . 85.0 mt-30 -102.1 152.2 21.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.735 0.302 . . . . 0.0 110.418 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -136.17 65.62 58.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.267 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -72.76 153.72 53.78 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.753 2.302 . . . . 0.0 112.651 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 1.4 p -67.89 154.83 93.0 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.603 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.26 -31.27 92.76 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.423 2.082 . . . . 0.0 112.054 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . 0.41 ' CG ' ' N ' ' C' ' 56' ' ' GLU . 8.9 pt-20 -67.02 -38.62 86.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.942 0.401 . . . . 0.0 110.202 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . 0.41 ' N ' ' CG ' ' C' ' 55' ' ' GLU . 99.2 mt-10 -67.14 -37.7 84.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.434 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 84.0 mt -60.92 -42.87 98.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.348 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -67.04 -41.21 86.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.801 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.1 -41.6 96.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.416 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 49.0 tpp -63.26 -41.16 99.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.1 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 4.1 mm -60.59 -46.21 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.815 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -61.18 -43.7 98.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.83 0.348 . . . . 0.0 110.525 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -65.91 -45.19 82.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . 0.434 ' CG1' ' SD ' ' C' ' 80' ' ' MET . 73.3 t -65.14 -39.72 86.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.722 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 52.3 t0 -53.69 139.96 30.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.755 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . 0.535 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 22.5 tp10 -88.03 -42.81 12.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.989 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -101.66 -1.61 32.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.675 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.75 23.22 74.01 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 69' ' ' SER . . . . . 0.531 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 99.9 p -73.44 -10.51 59.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.817 0.341 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.33 -8.56 75.14 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 71' ' ' THR . . . . . 0.443 ' H ' ' HG ' ' C' ' 69' ' ' SER . 69.5 p -135.26 164.04 28.61 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.55 0.214 . . . . 0.0 110.483 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 28.7 t -112.5 116.37 52.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.14 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . 0.523 ' CG ' ' N ' ' C' ' 74' ' ' PHE . 1.0 OUTLIER -73.5 166.64 22.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.356 179.563 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . 0.523 ' N ' ' CG ' ' C' ' 73' ' ' ASP . 16.8 m-85 -56.68 -46.99 80.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.542 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -66.24 -41.16 90.41 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.042 0.448 . . . . 0.0 110.468 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -62.72 -39.91 95.53 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.536 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -64.55 -40.47 95.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.326 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.3 -51.93 65.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.735 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 33.4 m -71.9 -27.7 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.984 0.421 . . . . 0.0 110.723 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 80' ' ' MET . . . . . 0.434 ' SD ' ' CG1' ' C' ' 64' ' ' VAL . 50.5 ttp -60.73 -43.87 97.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.767 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 25.1 ttt -61.1 -42.74 99.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.01 0.433 . . . . 0.0 110.654 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 99.2 t -70.41 -35.9 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.464 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.19 -179.552 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.839 0.352 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 64.6 m -67.86 149.04 50.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.499 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.61 -39.57 88.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.636 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.1 -39.68 90.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.42 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.76 95.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.764 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 60.1 mtp -61.97 -44.53 96.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.803 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 76.9 mtm -64.66 -40.03 94.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.457 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' C' ' 112' ' ' GLY . 11.9 tp-100 -62.51 -42.38 99.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.608 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.69 94.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.49 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 6.0 mp -66.28 -42.57 88.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 98.6 mt -93.42 3.56 55.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.653 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 112' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . . . . . . 0 CA--C 1.524 0.63 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.189 0 N-CA-C 110.472 -0.195 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.99 -44.79 87.39 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.877 0.37 . . . . 0.0 110.576 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 76.7 t -70.09 -38.3 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.099 0.476 . . . . 0.0 110.461 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -55.86 -32.29 63.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.759 -179.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -66.34 -15.8 63.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.666 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 50.1 mt -103.66 137.34 41.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.834 0.35 . . . . 0.0 110.468 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 44.1 p -95.11 168.41 10.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.584 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -62.27 -39.8 94.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.362 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -63.61 -40.02 95.86 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.227 0.537 . . . . 0.0 110.411 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -62.98 -41.29 99.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.509 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.55 -39.27 93.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -60.12 -40.89 91.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.342 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -63.08 -43.67 97.9 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 121.415 0.626 . . . . 0.0 110.639 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.68 -22.56 64.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.756 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -52.46 -25.53 10.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.497 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.97 80.58 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.394 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.79 95.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.965 0.412 . . . . 0.0 110.581 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -59.23 -46.84 87.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.513 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -59.65 -42.4 92.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.78 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 91.8 mt -60.13 -45.29 96.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.555 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -66.39 -34.82 78.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.608 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 66.3 t -70.87 -24.57 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.46 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.9 124.04 19.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.559 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.83 -3.49 81.11 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.09 118.79 29.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.601 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.19 -41.25 99.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.479 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.31 -26.21 67.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.534 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.75 -4.04 86.56 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.836 -0.905 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 65.6 m -140.78 161.73 37.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.66 0.267 . . . . 0.0 110.67 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.89 119.97 9.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.069 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 5.6 t -138.6 -158.17 0.83 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.613 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 72.9 p -61.37 -36.82 81.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.509 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . 0.675 ' HZ3' ' HZ2' ' C' ' 43' ' ' LYS . 42.9 tttm -63.15 -50.76 69.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.104 0.478 . . . . 0.0 110.722 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -69.99 -40.91 75.02 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.315 0.579 . . . . 0.0 110.531 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 51.8 tp -63.63 -39.68 94.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.731 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.01 -41.58 99.49 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.326 -1.11 . . . . 0.0 110.326 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . 0.675 ' HZ2' ' HZ3' ' C' ' 39' ' ' LYS . 60.2 mttp -59.98 -42.06 93.37 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.697 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 68.7 t -62.96 -42.86 98.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.261 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 14.0 mmt -62.15 -41.78 98.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.955 0.407 . . . . 0.0 110.378 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -62.63 -38.03 88.64 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.498 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 45.8 mtp -62.24 -38.74 90.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.295 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 94.8 mt -75.51 -10.79 59.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.603 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.41 5.32 59.17 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -101.54 141.45 34.39 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -131.58 74.97 77.46 Favored Pre-proline 0 C--O 1.233 0.21 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.977 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -63.16 149.64 90.85 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 123.184 2.589 . . . . 0.0 112.121 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 21.8 p -70.24 152.88 95.56 Favored Pre-proline 0 N--CA 1.449 -0.505 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.761 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -46.86 -40.69 25.3 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 122.316 2.01 . . . . 0.0 112.335 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -67.11 -32.18 73.15 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-O 121.236 0.541 . . . . 0.0 110.288 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -74.13 -35.47 64.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.73 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.73 -47.06 86.97 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.35 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -71.95 -39.52 69.33 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.777 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -63.19 -40.03 96.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.558 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 17.2 tpt -64.05 -41.18 97.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.281 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 4.4 mm -60.6 -44.05 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.758 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -60.0 -45.03 94.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.343 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.65 -45.52 92.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.36 -39.98 87.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.843 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' C' ' 71' ' ' THR . 1.2 m-20 -62.38 113.11 2.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.686 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -88.9 -18.16 28.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.674 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -109.58 -1.29 18.27 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.72 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.87 17.56 73.49 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 69' ' ' SER . . . . . 0.584 ' HG ' ' H ' ' C' ' 71' ' ' THR . 91.5 p -63.4 -21.32 66.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.772 0.32 . . . . 0.0 110.563 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.46 4.39 89.34 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 71' ' ' THR . . . . . 0.584 ' H ' ' HG ' ' C' ' 69' ' ' SER . 81.2 p -130.03 164.71 23.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.791 0.329 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 47.5 t -98.5 107.34 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.609 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.79 163.59 22.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.517 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -59.45 -48.38 81.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.397 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.34 -42.92 99.47 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.625 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -64.61 -39.95 94.63 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.031 0.444 . . . . 0.0 110.449 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -46.01 90.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.696 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 2.2 tp -64.83 -40.29 94.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.112 0.482 . . . . 0.0 110.294 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.05 -38.47 80.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.828 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 3.2 mmm -53.11 -34.41 56.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.792 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.34 -39.64 93.75 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.839 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 85.9 t -82.84 -28.81 8.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.705 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.662 -179.423 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.804 0.335 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 85.9 p -71.33 151.56 44.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.124 0.488 . . . . 0.0 110.797 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.11 -38.66 91.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.423 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -58.34 -45.58 87.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.589 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.03 -42.96 99.46 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.38 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 4.9 tpt -67.41 -40.98 85.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.415 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 28.8 mmm -61.97 -42.68 99.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.587 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.08 -42.74 88.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.881 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.15 97.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.24 -41.2 90.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.56 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -75.28 -35.93 61.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.322 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 -179.171 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.643 0.258 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' C' ' 12' ' ' LEU . . . -61.0 -47.57 85.86 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.363 -179.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 26.0 m -73.67 -35.91 45.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.727 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -67.47 -40.76 85.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -92.77 -38.4 11.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.019 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' C' ' 8' ' ' ALA . 11.3 mt -112.61 162.66 15.43 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.061 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 65.8 p -117.58 179.95 3.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.569 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -58.26 -31.93 67.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.202 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -59.49 -43.59 93.29 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.431 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 -66.14 -39.69 90.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.923 0.392 . . . . 0.0 110.598 178.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 tmtp? -58.12 -48.34 80.5 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.024 0.44 . . . . 0.0 110.476 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.56 -39.75 94.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.713 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -62.1 -39.71 93.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.165 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -61.37 -41.82 97.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.242 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -62.64 -42.32 99.53 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.218 0.532 . . . . 0.0 110.336 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.05 96.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.478 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.96 -38.58 86.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.274 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . 0.423 ' CD2' ' CE2' ' C' ' 74' ' ' PHE . 85.1 t80 -58.48 -48.73 79.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.508 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -59.91 -41.97 92.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.244 0.545 . . . . 0.0 110.382 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 87.5 mt -71.4 -40.61 73.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.063 0.459 . . . . 0.0 110.648 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -67.7 -42.5 81.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.157 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 p -73.88 -22.38 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.329 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.77 129.87 43.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.453 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.8 -2.14 76.03 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.54 106.32 18.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.878 0.37 . . . . 0.0 110.36 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.31 -24.5 65.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.698 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.69 -24.27 67.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.53 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.24 7.18 83.4 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 98.2 p -148.02 161.43 41.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.328 . . . . 0.0 110.55 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 97.0 mt -70.92 130.08 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.475 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' SER . . . . . 0.414 ' N ' ' OE1' ' C' ' 40' ' ' GLU . 74.3 p -141.58 -168.17 2.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.769 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 93.5 m -59.57 -37.01 77.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.411 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -57.91 -43.07 85.98 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.489 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . 0.42 ' CD ' ' N ' ' C' ' 40' ' ' GLU . 22.6 mp0 -64.08 -43.89 94.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.97 0.414 . . . . 0.0 110.804 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 tp -62.98 -44.06 97.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.043 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.74 -37.75 95.16 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -56.85 -48.74 77.36 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.646 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.29 -44.22 98.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.094 0.473 . . . . 0.0 110.235 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 25.1 mmt -63.33 -38.14 89.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.398 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -58.64 -42.86 89.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.893 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -63.12 -37.8 88.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.259 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.18 -7.69 9.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.385 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.2 3.01 70.24 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -105.99 136.82 44.98 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.363 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . 0.424 ' N ' ' OD1' ' C' ' 51' ' ' ASN . 14.0 p-10 -133.1 64.89 72.13 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.71 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -71.93 161.19 45.63 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.79 2.327 . . . . 0.0 111.985 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 64.2 p -60.43 141.76 91.26 Favored Pre-proline 0 C--N 1.326 -0.439 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.057 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.11 -18.23 30.96 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 122.675 2.25 . . . . 0.0 112.383 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -59.1 -46.39 88.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.123 -178.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -72.02 -37.18 69.81 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.76 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.64 -41.4 88.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.892 0.377 . . . . 0.0 110.704 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -64.17 -39.98 95.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.537 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.98 -41.83 97.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.167 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 60' ' ' MET . . . . . 0.415 ' O ' ' CG2' ' C' ' 64' ' ' VAL . 3.9 mmt -62.21 -42.2 99.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.543 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 23.8 mm -61.86 -44.95 99.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.663 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.29 -47.93 83.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.536 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -66.3 -40.94 90.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.324 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . 0.415 ' CG2' ' O ' ' C' ' 60' ' ' MET . 79.2 t -64.24 -39.54 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.582 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.538 ' OD2' ' N ' ' C' ' 69' ' ' SER . 63.8 t0 -54.43 130.53 39.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.701 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . 0.45 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 20.0 mp0 -68.39 -41.16 80.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.564 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . 0.533 ' CG ' ' HG ' ' C' ' 69' ' ' SER . 13.3 p30 -93.38 -1.17 56.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.305 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.57 23.15 70.29 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 69' ' ' SER . . . . . 0.538 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 50.1 m -66.79 -21.85 66.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.777 0.322 . . . . 0.0 110.479 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.81 -5.26 72.82 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 80.6 p -128.78 157.46 41.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.701 0.286 . . . . 0.0 110.423 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -104.51 110.86 31.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.215 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -83.94 176.44 8.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.586 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . 0.423 ' CE2' ' CD2' ' C' ' 24' ' ' PHE . 0.8 OUTLIER -57.15 -49.05 77.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.374 -179.333 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.07 -44.46 92.32 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.687 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -61.23 -39.84 91.78 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.377 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -60.81 -45.38 94.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 27.6 tp -59.83 -50.42 73.88 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.97 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 34.5 m -72.6 -38.3 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.621 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -61.75 -46.89 87.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 23.6 ttt -63.88 -39.32 93.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.398 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 64.7 t -60.9 -46.18 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.808 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.508 -179.89 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 5.1 mm . . . . . 0 N--CA 1.464 0.235 0 CA-C-O 120.877 0.37 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 102' ' ' SER . . . . . 0.437 ' OG ' ' OD1' ' C' ' 104' ' ' ASP . 45.4 t -70.55 144.2 51.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.777 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.88 94.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.535 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 104' ' ' ASP . . . . . 0.578 ' OD1' ' N ' ' C' ' 105' ' ' ALA . 6.7 p30 -61.08 -40.01 92.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.778 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 105' ' ' ALA . . . . . 0.578 ' N ' ' OD1' ' C' ' 104' ' ' ASP . . . -62.04 -40.82 97.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.303 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 31.1 ttm -59.88 -46.23 89.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.727 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -62.63 -43.86 97.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.719 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . 0.556 ' O ' ' N ' ' C' ' 112' ' ' GLY . 91.4 mt-30 -64.0 -40.97 97.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.85 97.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 0.0 111.147 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 1.1 mp -71.86 -49.87 34.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.356 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 90.2 mt -87.91 -0.05 56.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.715 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 112' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . . . . . . 0 CA--C 1.522 0.51 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.976 0.417 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.75 -40.47 95.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.496 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.473 ' O ' ' O ' ' C' ' 12' ' ' LEU . 75.4 t -63.08 -41.05 91.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.127 0.489 . . . . 0.0 110.509 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.05 -38.16 90.09 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.599 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -82.4 -38.55 23.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' C' ' 9' ' ' VAL . 58.3 mt -100.57 135.45 41.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.989 0.423 . . . . 0.0 110.594 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 66.7 p -81.32 164.95 21.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 57.4 mp0 -61.99 -41.85 98.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.237 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -62.56 -44.72 95.63 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.146 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -62.29 -38.88 91.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.023 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -60.49 -41.28 93.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.109 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -60.47 -44.66 95.67 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.353 0.597 . . . . 0.0 110.489 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.19 -38.77 92.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.232 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.99 -38.75 89.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.29 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -59.32 -45.0 92.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.433 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.57 95.01 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.53 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.6 93.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.452 0.644 . . . . 0.0 110.262 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -61.2 -42.19 98.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.679 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -59.32 -56.27 24.16 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.423 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 14.2 tt -61.11 -24.02 31.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.823 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.13 -39.78 86.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.018 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 26.4 m -87.03 15.8 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.319 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.48 122.59 17.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.563 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.72 6.72 89.2 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.29 112.78 2.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.815 0.34 . . . . 0.0 110.541 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.48 -40.55 89.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.799 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -91.65 3.88 54.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.638 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 68.55 28.67 73.04 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 93.3 p -150.6 164.12 36.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.32 . . . . 0.0 110.566 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 97.8 mt -76.19 120.28 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.386 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 49.7 m -119.26 -170.79 1.99 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.477 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.1 p -63.16 -36.03 82.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.481 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -44.17 97.03 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.997 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . 0.441 ' OE1' ' N ' ' C' ' 40' ' ' GLU . 20.1 mp0 -61.6 -43.7 98.38 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.746 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 48.2 tp -68.7 -37.38 79.48 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.264 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.04 -37.59 91.8 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -59.33 -39.89 84.54 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.365 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.54 -47.68 88.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.48 0.657 . . . . 0.0 110.114 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 60.0 mtt -63.57 -40.69 97.62 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.373 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.12 -37.89 86.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.491 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 5.2 tpp -58.34 -39.03 78.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.808 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.58 -13.1 62.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.711 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.93 10.56 45.79 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.81 158.51 18.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.776 0.322 . . . . 0.0 110.398 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -129.76 72.06 82.01 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.511 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -73.44 154.8 50.74 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.683 2.256 . . . . 0.0 112.518 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 30.9 p -95.55 143.27 25.83 Favored Pre-proline 0 N--CA 1.446 -0.646 0 C-N-CA 119.699 -0.801 . . . . 0.0 110.963 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -56.15 -31.31 82.99 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.301 2.001 . . . . 0.0 112.432 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . 0.447 ' O ' ' OE1' ' C' ' 59' ' ' GLU . 21.0 tp10 -61.44 -47.32 86.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.252 -178.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -73.56 -31.29 63.56 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.678 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.37 -42.01 93.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.859 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -69.25 -41.08 77.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.435 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . 0.487 ' N ' ' OE1' ' C' ' 59' ' ' GLU . 1.6 mp0 -64.18 -42.35 96.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 57.8 ttm -60.49 -46.02 91.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.427 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' C' ' 65' ' ' ASP . 3.9 mm -62.84 -43.25 98.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.689 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -59.94 -41.26 91.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.75 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . 0.414 ' OE1' ' O ' ' C' ' 59' ' ' GLU . 0.7 OUTLIER -64.68 -41.8 95.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.89 179.845 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 76.1 t -79.11 -32.34 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.041 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 46.9 t0 -42.55 143.36 0.68 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.535 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . 0.557 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 5.6 tp10 -86.3 -47.62 9.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.291 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 50.4 p-10 -101.88 1.23 36.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.272 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.23 23.73 76.19 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 69' ' ' SER . . . . . 0.51 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 93.5 p -67.67 -16.9 64.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.776 0.322 . . . . 0.0 110.846 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.16 -4.0 82.66 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 68.7 p -136.44 163.59 30.12 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 121.169 -0.212 . . . . 0.0 110.716 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . 0.409 ' O ' ' CG2' ' C' ' 72' ' ' VAL . 32.6 m -125.82 109.09 20.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.448 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.94 -170.75 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.52 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -58.44 -48.71 79.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -60.69 -46.97 88.33 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.737 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -69.04 -38.27 79.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.973 0.416 . . . . 0.0 110.979 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -59.88 -47.73 84.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.6 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 10.4 tp -62.3 -40.79 97.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.317 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.28 -41.22 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.709 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 63.5 mtp -59.62 -44.18 93.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 7.7 mmt -63.2 -44.32 95.68 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.905 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 89.5 t -68.75 -40.55 81.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.634 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.424 -179.125 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 37.3 mm . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.942 0.401 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 43.8 t -82.74 144.17 30.38 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.848 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.07 99.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.487 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -60.14 -40.61 90.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.533 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.26 96.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.617 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 13.6 ttp -63.57 -42.92 98.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.864 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 92.3 mtp -65.32 -38.45 90.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.314 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . 0.564 ' O ' ' N ' ' C' ' 112' ' ' GLY . 1.1 mm100 -60.54 -42.53 96.69 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.674 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.46 98.78 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.658 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.19 -41.24 90.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.022 0.439 . . . . 0.0 111.015 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 70.4 mt -98.19 9.22 43.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.436 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 112' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . . . . . . 0 CA--C 1.522 0.497 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.772 0.32 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.55 -44.76 95.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.112 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.22 -43.69 98.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.782 0.325 . . . . 0.0 110.822 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.55 -40.18 93.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.786 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -80.36 -38.81 29.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.035 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 32.1 mt -82.77 146.2 29.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.647 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 43.5 p -118.95 179.54 4.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.479 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -59.11 -39.3 81.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.329 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -61.48 -45.36 94.59 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.527 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -64.17 -39.66 94.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.398 0.618 . . . . 0.0 110.403 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -67.24 -37.98 84.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.912 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -59.57 -49.0 79.47 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.391 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -65.15 -34.38 78.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.386 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.27 -45.17 92.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.801 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -59.83 -44.54 93.99 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.878 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.38 87.56 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.441 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.09 94.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.61 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -61.49 -43.72 98.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.657 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -59.97 -41.4 91.88 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.488 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.0 -41.07 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.965 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -61.85 -45.84 92.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.907 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 27.7 m -74.96 -17.48 16.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.957 0.408 . . . . 0.0 110.525 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.56 111.22 3.5 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.669 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.77 -9.15 58.38 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.91 120.71 17.89 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.636 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -68.07 -41.97 81.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.625 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.58 -22.09 64.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.643 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.82 10.1 67.41 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 91.4 p -148.43 173.38 13.15 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.785 0.326 . . . . 0.0 110.572 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 69.0 mt -76.7 123.79 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 83.0 p -118.39 -175.8 2.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.695 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -29.26 67.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.358 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -61.41 -44.68 96.71 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.711 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -66.26 -41.13 90.36 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.405 0.622 . . . . 0.0 110.369 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 mt -68.0 -36.38 79.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.675 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.73 -44.11 97.25 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -61.71 -45.14 95.23 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.968 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.87 -44.58 98.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.441 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 45' ' ' MET . . . . . 0.427 ' C ' ' O ' ' C' ' 50' ' ' GLN . 22.2 mmt -63.67 -38.47 91.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.619 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -58.47 -45.62 88.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.917 0.389 . . . . 0.0 110.422 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 74.0 mtm -65.32 -36.18 83.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.438 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.73 -8.67 37.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.66 9.61 52.29 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' C' ' 45' ' ' MET . 20.4 mm-40 -122.88 134.2 54.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.874 0.369 . . . . 0.0 110.629 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . 0.514 ' N ' ' OD1' ' C' ' 51' ' ' ASN . 8.1 p-10 -138.58 69.97 45.26 Favored Pre-proline 0 C--N 1.326 -0.45 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.357 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.0 155.43 68.23 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 123.21 2.606 . . . . 0.0 111.717 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 26.8 p -59.05 138.57 87.79 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 120.009 -0.676 . . . . 0.0 110.996 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.71 -38.58 77.21 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 122.301 2.001 . . . . 0.0 112.258 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -61.35 -45.36 94.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.347 . . . . 0.0 110.677 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.4 -39.35 93.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.684 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.79 -42.6 99.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -63.26 -42.04 99.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.779 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.31 -43.06 99.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.966 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 99.4 mtp -65.45 -39.56 92.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.951 0.405 . . . . 0.0 110.663 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 1.2 mp -62.61 -40.59 88.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.385 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -60.57 -46.08 91.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.432 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -68.62 -39.14 80.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.82 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.79 -39.89 86.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.452 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.523 ' OD2' ' N ' ' C' ' 71' ' ' THR . 97.6 m-20 -53.6 119.75 5.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 0.0 110.44 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 41.7 mp0 -67.68 -40.69 84.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.775 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -91.36 -0.09 57.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.26 25.31 73.57 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 99.0 p -61.17 -20.52 62.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.904 0.383 . . . . 0.0 110.716 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.23 -9.36 77.76 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 71' ' ' THR . . . . . 0.523 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 68.4 p -137.91 172.43 12.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.636 0.255 . . . . 0.0 110.548 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 72.3 t -104.88 107.14 21.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.221 0.534 . . . . 0.0 110.551 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 45.0 p-10 -96.43 -169.45 1.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.653 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -56.76 -49.75 74.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.009 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.88 -46.81 87.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.005 0.431 . . . . 0.0 111.087 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . 0.458 ' OE1' ' O ' ' C' ' 71' ' ' THR . 7.6 mt-10 -65.62 -38.76 90.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.425 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -59.94 -48.11 83.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.244 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.43 -40.3 78.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.97 -179.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.99 -47.82 91.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-O 121.332 0.587 . . . . 0.0 110.545 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 89.5 mtp -63.59 -39.99 95.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.552 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 3.0 ttt -60.9 -38.86 87.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 57.9 t -60.43 -38.08 76.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.117 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 31.6 ttp-105 . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.589 -178.96 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 78.7 mt . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 120.707 0.289 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 102' ' ' SER . . . . . 0.632 ' HG ' ' H ' ' C' ' 105' ' ' ALA . 66.6 p -86.14 167.55 14.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.596 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.94 97.07 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.15 0.5 . . . . 0.0 110.286 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.52 -39.22 93.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.185 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 105' ' ' ALA . . . . . 0.632 ' H ' ' HG ' ' C' ' 102' ' ' SER . . . -61.32 -38.94 88.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.341 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 54.3 ttm -59.48 -47.71 84.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.412 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 65.4 ttp -60.8 -44.3 97.03 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.123 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -63.35 -44.04 95.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.456 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.59 -40.76 97.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.442 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.51 -44.64 95.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.119 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 3.5 tp -76.51 -36.49 57.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.391 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.783 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.728 0.299 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.81 -41.26 95.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.386 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.489 ' O ' ' O ' ' C' ' 12' ' ' LEU . 79.3 t -63.26 -40.77 90.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.069 0.461 . . . . 0.0 109.982 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.63 -46.31 90.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.351 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -72.59 -41.33 65.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.816 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' C' ' 9' ' ' VAL . 12.3 mt -117.57 133.64 55.74 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.194 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 58.1 p -81.97 163.56 22.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -62.98 -40.29 97.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.344 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . 0.45 ' O ' ' OE2' ' C' ' 19' ' ' GLU . 40.2 mp0 -63.67 -41.07 98.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.636 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -62.99 -41.19 99.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.334 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -61.39 -40.68 95.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.757 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.25 -44.21 97.62 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.518 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . 0.45 ' OE2' ' O ' ' C' ' 15' ' ' GLU . 0.8 OUTLIER -70.72 -42.49 70.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.873 0.368 . . . . 0.0 110.805 179.476 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -61.45 -25.9 67.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.606 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -54.89 -36.74 65.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.399 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.12 -41.61 97.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.933 0.397 . . . . 0.0 110.25 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.23 -40.39 95.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.102 0.477 . . . . 0.0 110.268 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . 0.62 ' CD2' ' CE2' ' C' ' 74' ' ' PHE . 62.9 t80 -62.66 -42.47 99.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.226 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -57.65 -39.58 77.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.027 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.0 -41.8 93.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.204 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.19 -35.46 71.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 33.3 m -102.37 28.23 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . 0.45 ' O ' ' CD1' ' C' ' 29' ' ' LEU . 2.6 pp -63.07 122.76 16.86 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.598 0.713 . . . . 0.0 110.639 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 62.92 22.85 65.07 Favored Glycine 0 CA--C 1.523 0.549 0 C-N-CA 120.293 -0.956 . . . . 0.0 110.712 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.89 124.47 21.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 110.678 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.08 -39.98 78.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.768 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -91.97 -23.73 19.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.727 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.92 -5.81 79.16 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 94.4 p -122.41 174.99 6.68 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.76 0.314 . . . . 0.0 110.608 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 mm -82.23 129.16 37.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 9.5 t -131.44 -169.59 2.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.408 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 70.6 p -60.76 -36.38 78.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.676 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.83 -44.97 91.65 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.399 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -70.8 -40.67 72.39 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.994 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . 0.433 ' O ' ' SD ' ' C' ' 45' ' ' MET . 0.6 OUTLIER -60.09 -27.0 66.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.825 -179.842 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.38 -34.31 74.35 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.399 -1.081 . . . . 0.0 110.399 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -62.26 -41.84 98.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.771 0.319 . . . . 0.0 110.443 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 77.4 t -63.77 -44.77 98.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.429 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 45' ' ' MET . . . . . 0.61 ' SD ' ' N ' ' C' ' 45' ' ' MET . 0.0 OUTLIER -61.95 -41.8 98.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.745 0.307 . . . . 0.0 111.141 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -61.43 -44.04 97.83 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.428 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 78.2 mtm -65.68 -39.29 91.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.324 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 2.6 mp -70.76 -13.16 61.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.15 4.11 78.33 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -95.0 150.03 20.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.36 . . . . 0.0 110.612 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -138.41 70.31 46.43 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -76.31 156.35 37.21 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.85 2.366 . . . . 0.0 112.618 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 53.9 p -69.68 153.07 95.94 Favored Pre-proline 0 N--CA 1.451 -0.422 0 C-N-CA 120.024 -0.67 . . . . 0.0 111.067 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -54.87 -38.84 92.37 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 122.088 1.859 . . . . 0.0 112.398 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -62.71 -42.42 99.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.862 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.5 -40.47 95.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.628 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 71.3 mt -62.84 -40.27 96.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -60.07 -45.38 93.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.45 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.51 -38.12 88.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.83 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 34.4 tpp -59.78 -44.48 93.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.491 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.57 -40.21 85.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -58.51 -43.04 88.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.346 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -71.44 -40.62 70.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.738 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 63.5 t -67.27 -39.91 83.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.295 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.474 ' OD2' ' N ' ' C' ' 70' ' ' GLY . 80.8 m-20 -50.73 130.5 24.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.132 0.491 . . . . 0.0 110.643 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -68.82 -41.92 77.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.308 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -106.09 1.46 26.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.53 23.99 77.18 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 93.0 p -62.4 -19.86 63.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.961 0.41 . . . . 0.0 110.683 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . 0.474 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 95.44 -11.93 68.29 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 63.0 p -137.22 162.5 33.32 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.432 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.72 115.91 51.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.888 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.85 179.28 6.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.518 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . 0.62 ' CE2' ' CD2' ' C' ' 24' ' ' PHE . 0.2 OUTLIER -58.18 -50.64 72.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.573 -179.483 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.84 -46.6 89.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.888 0.375 . . . . 0.0 111.027 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -66.03 -37.41 85.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.363 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -59.1 -47.47 85.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.37 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.65 -41.55 90.83 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.064 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 55.4 t -61.84 -43.58 97.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.473 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 12.7 mmm -57.51 -45.85 84.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.068 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 3.2 mtt -61.89 -45.56 93.19 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.769 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.13 -46.09 96.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.884 0.373 . . . . 0.0 110.79 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.747 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.766 0.317 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 102' ' ' SER . . . . . 0.679 ' HG ' ' H ' ' C' ' 105' ' ' ALA . 82.8 p -73.66 161.2 30.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.605 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.54 99.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.636 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -64.53 -43.16 94.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.455 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 105' ' ' ALA . . . . . 0.679 ' H ' ' HG ' ' C' ' 102' ' ' SER . . . -61.59 -40.64 95.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.546 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 64.9 ttp -61.93 -44.13 97.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.386 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -41.52 95.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.526 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' C' ' 112' ' ' GLY . 71.3 mt-30 -62.1 -40.97 97.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.711 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.03 93.5 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.674 -0.411 . . . . 0.0 111.055 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 18.5 mt -67.89 -43.44 79.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.197 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 9.3 mp -76.09 -38.09 57.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.708 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 112' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . . . . . . 0 CA--C 1.523 0.558 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.709 0.29 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.3 99.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.11 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.457 ' O ' ' O ' ' C' ' 12' ' ' LEU . 74.9 t -64.93 -40.09 87.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.423 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.34 -42.42 98.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.861 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -79.59 -40.54 29.12 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.505 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.457 ' O ' ' O ' ' C' ' 9' ' ' VAL . 1.1 mp -117.38 143.77 45.63 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.795 -179.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 68.3 p -107.47 163.27 13.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.695 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -61.97 -39.72 93.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.801 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.52 -41.55 98.92 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.332 0.587 . . . . 0.0 110.29 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -64.23 -38.75 92.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.155 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -59.35 -41.67 89.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.143 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -59.41 -46.38 88.86 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.04 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -68.32 -40.39 81.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.153 0.501 . . . . 0.0 110.644 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -61.79 -23.03 65.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.478 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -54.54 -38.38 66.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.012 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.1 98.02 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.367 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.86 95.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.406 0.622 . . . . 0.0 110.482 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . 0.459 ' CE2' ' CE2' ' C' ' 74' ' ' PHE . 57.5 t80 -66.78 -38.81 87.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.562 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -58.87 -49.4 77.9 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.914 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 35.9 pt -65.8 -31.41 53.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.476 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.21 -46.99 47.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.03 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 2.0 p -80.54 -2.28 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.438 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . 0.441 ' O ' ' OE2' ' C' ' 40' ' ' GLU . 60.9 tp -56.03 129.75 41.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.109 0.481 . . . . 0.0 110.35 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.65 -13.54 67.02 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.52 97.99 9.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.972 0.415 . . . . 0.0 110.198 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.81 -21.59 66.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.606 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.42 -21.27 66.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.422 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.12 -4.2 84.54 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 64.6 m -132.35 149.62 52.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 110.796 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 10.4 pt -57.96 122.12 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.052 0.453 . . . . 0.0 110.585 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 73.6 p -114.83 -178.65 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.395 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 74.2 p -63.93 -35.33 80.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.382 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -61.78 -46.51 89.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.571 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . 0.441 ' OE2' ' O ' ' C' ' 29' ' ' LEU . 1.3 mm-40 -68.79 -45.06 72.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.578 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . 0.534 ' O ' ' SD ' ' C' ' 45' ' ' MET . 86.4 mt -62.26 -28.72 69.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.873 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.63 -38.59 91.89 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -61.45 -39.49 91.02 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.773 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.19 -45.53 98.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.403 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 45' ' ' MET . . . . . 0.597 ' SD ' ' N ' ' C' ' 45' ' ' MET . 0.0 OUTLIER -61.17 -42.09 97.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.772 0.32 . . . . 0.0 110.68 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.54 -39.45 93.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.395 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 51.4 ttm -60.99 -41.27 96.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.201 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 tp -73.18 -11.45 60.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.57 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.26 -5.95 59.33 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -88.12 139.23 30.72 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 120.923 0.392 . . . . 0.0 110.795 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -71.01 148.15 94.27 Favored Pre-proline 0 C--N 1.327 -0.409 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.623 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.85 141.21 53.13 Favored 'Trans proline' 0 N--CA 1.491 1.382 0 C-N-CA 122.041 1.828 . . . . 0.0 112.112 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 1.1 p -138.27 106.18 7.9 Favored Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.991 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.27 -21.43 35.8 Favored 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 121.912 1.741 . . . . 0.0 112.331 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -73.27 -49.36 28.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.052 0.453 . . . . 0.0 111.486 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.56 -37.17 60.15 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.055 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 69.0 mt -62.28 -43.07 99.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.788 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -67.79 -38.66 83.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.126 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -69.91 -41.73 74.28 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.707 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 14.2 tpt -66.87 -48.51 68.55 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.625 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 17.8 tt -63.15 -34.49 67.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -68.69 -46.56 68.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.34 -46.31 87.22 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.293 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 35.1 m -75.14 -15.71 15.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.616 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.553 ' OD2' ' N ' ' C' ' 69' ' ' SER . 51.7 t0 -45.66 151.03 0.45 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.263 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . 0.549 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 13.5 tm-20 -78.89 -49.88 12.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.856 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . 0.534 ' CG ' ' HG ' ' C' ' 69' ' ' SER . 35.5 p30 -114.38 7.03 16.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.32 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.21 23.28 77.83 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 120.318 -0.944 . . . . 0.0 111.226 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 69' ' ' SER . . . . . 0.553 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 51.0 m -65.42 -16.47 63.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.4 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.25 -12.77 69.11 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 78.5 p -135.54 164.0 28.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.629 0.252 . . . . 0.0 110.475 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 59.9 t -109.85 105.98 19.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.551 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.01 177.88 7.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.487 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . 0.459 ' CE2' ' CE2' ' C' ' 24' ' ' PHE . 62.6 m-85 -60.12 -49.0 79.37 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.982 0.42 . . . . 0.0 110.763 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -65.01 -39.71 93.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.572 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.88 -39.93 95.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.792 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -60.33 -47.37 86.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.525 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.63 -48.02 83.63 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.513 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 64.0 t -69.54 -45.56 77.96 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.602 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 64.4 ttp -58.81 -25.26 63.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -53.02 -37.93 61.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.437 -179.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 1.6 m -72.08 -35.72 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.38 . . . . 0.0 110.755 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.248 -179.642 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 82.0 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.72 0.295 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 2.2 m -65.09 158.9 24.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.006 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.55 96.76 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.942 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 104' ' ' ASP . . . . . 0.461 ' CG ' ' N ' ' C' ' 105' ' ' ALA . 0.6 OUTLIER -67.61 -44.26 78.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.34 -179.728 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 105' ' ' ALA . . . . . 0.461 ' N ' ' CG ' ' C' ' 104' ' ' ASP . . . -61.78 -38.87 89.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.437 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 37.8 ttm -59.36 -46.36 88.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.528 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 11.6 tpp -60.88 -46.8 89.17 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.673 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -62.44 -41.6 98.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.635 -178.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.14 99.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 10.2 tp -73.75 -50.27 21.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.445 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 62.8 tp -62.86 -48.26 79.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.787 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 -179.059 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.066 0 N-CA-C 110.519 -0.178 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.21 92.19 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 121.154 0.502 . . . . 0.0 110.353 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 60.5 t -71.34 -40.29 73.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.995 0.426 . . . . 0.0 110.937 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -61.03 -48.82 80.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.948 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -38.04 87.36 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.176 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 39.9 mt -62.35 136.96 58.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.772 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.1 p -95.07 167.57 11.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.68 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.24 -39.66 91.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.405 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.44 -46.07 91.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -66.22 -41.04 90.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.464 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -67.3 -41.77 84.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.232 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -61.98 -45.13 94.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.604 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.65 -46.4 89.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.438 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -63.27 -41.53 99.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.691 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -63.28 -42.93 99.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.616 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.24 -44.07 97.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.489 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.71 -39.75 95.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.447 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -59.2 -46.59 88.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.78 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -58.74 -43.05 90.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.082 0.468 . . . . 0.0 110.541 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 87.3 mt -59.99 -43.86 93.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.822 0.344 . . . . 0.0 110.643 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -69.82 -37.0 76.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.06 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.15 -16.19 19.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.123 -178.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.51 128.07 34.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.198 -179.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.1 -8.71 45.63 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.39 119.65 36.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.829 0.347 . . . . 0.0 110.487 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -65.45 -38.56 90.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.808 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -64.45 -25.92 68.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.526 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.77 14.73 57.7 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 88.0 p -136.11 168.52 19.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.791 0.329 . . . . 0.0 110.612 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 3.9 pt -85.56 119.51 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.536 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 97.4 p -110.61 -162.2 0.79 Allowed 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.7 p -66.23 -32.04 73.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.574 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -59.99 -44.66 94.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.951 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 37.3 mp0 -64.92 -41.47 95.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.995 0.426 . . . . 0.0 110.518 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -37.35 87.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.207 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.36 -40.77 99.1 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -61.94 -42.43 99.1 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.1 0.476 . . . . 0.0 109.961 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 63.2 t -62.66 -42.94 97.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.217 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 23.6 mmt -61.99 -37.75 86.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.109 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . 0.667 ' HE ' ' ND2' ' C' ' 51' ' ' ASN . 4.1 mmt85 -60.63 -40.58 92.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.07 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 22.8 mtt -62.61 -39.12 92.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.94 0.4 . . . . 0.0 110.282 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 18.9 mt -72.68 -10.02 59.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.504 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.9 18.74 49.97 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -125.97 148.4 49.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.889 0.376 . . . . 0.0 110.355 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . 0.667 ' ND2' ' HE ' ' C' ' 46' ' ' ARG . 18.0 t-20 -140.47 71.54 31.87 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.582 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -60.66 152.07 71.63 Favored 'Trans proline' 0 C--N 1.304 -1.763 0 C-N-CA 122.959 2.44 . . . . 0.0 112.098 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.57 155.15 61.39 Favored Pre-proline 0 N--CA 1.453 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.585 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -60.57 -32.18 93.15 Favored 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.541 2.161 . . . . 0.0 112.351 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -62.87 -45.83 90.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.629 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -63.96 -39.66 94.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.732 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 98.5 mt -62.88 -40.17 96.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.616 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -64.12 -40.99 97.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.042 0.448 . . . . 0.0 110.445 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -71.74 -39.5 70.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.78 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 59.3 ttm -62.15 -49.27 76.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.164 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 14.4 tt -69.49 -31.59 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.615 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.34 -43.99 96.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.796 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.54 -41.4 93.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.804 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . 0.522 ' O ' ' NH2' ' C' ' 83' ' ' ARG . 75.7 t -68.15 -39.48 81.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.594 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 23.7 t0 -39.02 152.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.401 -179.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . 0.528 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 2.5 tt0 -91.49 -41.83 10.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.035 -179.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -104.04 -1.65 27.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.24 15.78 74.91 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 46.8 m -68.14 -18.03 64.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 110.486 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.32 -4.01 82.38 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 88.7 m -131.42 137.66 48.74 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.712 0.291 . . . . 0.0 110.482 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 73.2 t -117.08 128.04 74.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.736 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . 0.51 ' CG ' ' H ' ' C' ' 74' ' ' PHE . 35.3 t0 -104.95 -171.78 1.98 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.746 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . 0.51 ' H ' ' CG ' ' C' ' 73' ' ' ASP . 0.2 OUTLIER -59.56 -51.08 71.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.172 179.567 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -59.22 -50.52 73.71 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.761 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.23 -40.05 96.35 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.719 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -59.17 -48.66 80.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.869 0.366 . . . . 0.0 111.186 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -53.7 49.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.316 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 34.4 m -72.87 -37.7 55.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.227 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 80' ' ' MET . . . . . 0.466 ' SD ' ' CG1' ' C' ' 64' ' ' VAL . 17.3 tmm? -61.37 -39.66 91.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.411 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 81' ' ' MET . . . . . 0.463 ' C ' ' SD ' ' C' ' 81' ' ' MET . 0.0 OUTLIER -50.55 -49.0 57.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.653 -178.843 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 73.0 t -69.6 -44.59 79.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.907 0.384 . . . . 0.0 110.958 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . 0.522 ' NH2' ' O ' ' C' ' 64' ' ' VAL . 23.2 ttp180 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 84.1 mt . . . . . 0 CA--C 1.523 -0.06 0 CA-C-O 121.002 0.429 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 67.8 m -61.75 151.33 34.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.705 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.06 78.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.509 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -58.73 -44.03 90.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.519 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.71 98.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.896 0.379 . . . . 0.0 110.671 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 93.4 mmm -63.23 -44.57 94.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.749 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 94.5 mtp -65.49 -42.56 92.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -66.17 -41.75 89.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.67 -40.65 95.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.75 -51.57 58.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.985 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 85.1 mt -65.04 -42.13 94.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.981 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.764 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.946 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.058 0 CA-C-O 120.748 0.309 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.58 92.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.167 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.56 -41.26 92.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.25 0.548 . . . . 0.0 110.118 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -60.25 -35.43 75.47 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.441 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -91.25 10.16 28.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.55 -178.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.453 ' CD1' ' C ' ' C' ' 12' ' ' LEU . 0.7 OUTLIER -67.27 152.29 45.99 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 179.618 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.9 p -110.26 148.67 31.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.877 0.37 . . . . 0.0 110.607 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . 0.43 ' O ' ' OD1' ' C' ' 18' ' ' ASN . 98.8 mt-10 -68.18 -38.23 81.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.912 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -60.47 -45.25 94.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.502 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -68.3 -40.32 81.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.956 0.408 . . . . 0.0 110.393 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.9 -41.68 99.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' C' ' 14' ' ' GLU . 27.2 m120 -60.88 -42.31 97.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.802 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -45.8 86.84 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.001 0.429 . . . . 0.0 110.285 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.618 ' CD2' ' CZ ' ' C' ' 77' ' ' PHE . 87.4 t80 -62.79 -38.57 91.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.367 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -57.01 -46.53 82.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.409 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.88 -45.03 83.56 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.111 -0.635 . . . . 0.0 110.435 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.02 -24.97 67.65 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.033 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . 0.467 ' CE1' ' CZ ' ' C' ' 74' ' ' PHE . 85.4 t80 -55.69 -38.06 69.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.259 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -60.57 -44.06 96.61 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.607 -179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 91.4 mt -72.39 -39.72 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.739 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . 0.467 ' O ' ' OE2' ' C' ' 40' ' ' GLU . 0.5 OUTLIER -61.21 -28.56 69.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 -179.436 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 16.7 m -112.07 27.06 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 110.496 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.96 115.96 5.38 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.356 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.51 -3.18 87.27 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.3 96.51 10.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.177 0.513 . . . . 0.0 110.43 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -69.74 -16.92 63.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.363 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' C' ' 33' ' ' ASP . 48.4 t0 -65.44 -27.92 68.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.598 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.52 10.82 85.6 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.706 -0.957 . . . . 0.0 110.706 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 58.4 m -136.5 160.52 38.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.725 0.297 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 89.5 mt -86.85 114.9 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.361 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 85.5 p -109.48 -177.76 3.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.519 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.2 p -63.22 -37.4 87.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.206 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.2 -40.68 96.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.64 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . 0.467 ' OE2' ' O ' ' C' ' 27' ' ' PHE . 37.4 tp10 -64.03 -43.84 94.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.453 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.12 -41.4 94.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.3 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.65 -39.32 96.42 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.481 -1.047 . . . . 0.0 110.481 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.77 -44.22 97.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.961 0.41 . . . . 0.0 110.263 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 68.4 t -62.22 -44.04 98.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.132 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 26.2 mmt -65.02 -35.35 80.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.107 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 49.1 ttm-85 -56.19 -47.59 78.04 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 72.6 mtm -65.03 -38.21 90.15 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.513 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.39 -12.26 5.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.588 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.69 9.06 61.66 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -109.63 148.37 31.45 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -128.51 71.88 80.49 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.094 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -73.84 150.47 44.27 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.668 2.245 . . . . 0.0 112.032 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 69.4 p -81.06 153.81 72.32 Favored Pre-proline 0 C--N 1.324 -0.542 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.517 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.47 -30.81 87.29 Favored 'Trans proline' 0 N--CA 1.498 1.74 0 C-N-CA 121.866 1.711 . . . . 0.0 112.367 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.78 -47.46 86.24 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.366 -178.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' C' ' 57' ' ' LEU . 4.9 pt-20 -72.41 -37.33 68.7 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.321 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . 0.404 ' N ' ' CG ' ' C' ' 56' ' ' GLU . 85.6 mt -63.64 -42.11 98.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.753 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -65.67 -43.07 90.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.025 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -64.41 -41.37 96.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 26.3 ttt -62.79 -45.63 91.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.686 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' C' ' 65' ' ' ASP . 92.3 mt -65.6 -41.96 91.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.743 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -57.58 -43.51 84.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.5 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -62.99 -42.36 99.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.135 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 75.3 t -81.83 -12.84 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.792 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' C' ' 69' ' ' SER . 52.3 t0 -61.97 137.55 58.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.276 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . 0.523 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 8.8 tm-20 -88.95 -40.27 13.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.164 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.76 -1.14 28.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.19 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . 0.443 ' H ' ' CG ' ' C' ' 65' ' ' ASP . . . 66.35 22.02 70.8 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 69' ' ' SER . . . . . 0.535 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 99.9 p -72.0 -12.66 61.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.693 0.282 . . . . 0.0 110.799 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.12 5.34 89.76 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 58.2 p -131.0 164.25 25.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.614 0.245 . . . . 0.0 110.586 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 47.0 t -120.11 117.51 53.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.876 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -104.21 -169.65 1.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.508 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . 0.467 ' CZ ' ' CE1' ' C' ' 24' ' ' PHE . 29.7 m-85 -59.26 -42.99 92.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.026 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.38 -45.16 94.41 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.979 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -71.04 -28.95 64.75 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 121.181 0.515 . . . . 0.0 110.65 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . 0.618 ' CZ ' ' CD2' ' C' ' 20' ' ' PHE . 0.0 OUTLIER -64.11 -39.44 94.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.434 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 18.1 mt -59.86 -45.47 92.34 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.481 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -71.56 -30.09 37.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.14 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 66.6 ttp -68.34 -42.21 79.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.981 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 6.3 tpt -63.99 -51.15 65.65 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.025 0.441 . . . . 0.0 111.1 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 31.1 m -66.35 -30.84 51.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 61.4 ttt85 . . . . . 0 C--N 1.329 -0.296 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.036 179.735 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 87.3 mt . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.767 0.317 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 54.9 m -87.64 161.83 17.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.705 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.69 -41.18 94.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.5 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -62.17 -41.5 98.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.484 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.71 -41.02 98.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.633 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 106' ' ' MET . . . . . 0.434 ' C ' ' SD ' ' C' ' 106' ' ' MET . 15.2 tmm? -61.53 -44.71 96.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.544 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -47.59 81.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.348 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -62.41 -46.51 88.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.558 -179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.58 93.54 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.923 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.11 -47.81 72.94 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.63 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 43.0 tp -65.52 -45.14 84.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.381 -178.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.752 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.912 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.796 0.331 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.09 97.23 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.529 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.471 ' O ' ' O ' ' C' ' 12' ' ' LEU . 77.8 t -66.5 -40.95 87.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.009 0.433 . . . . 0.0 110.617 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -61.33 -29.41 69.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.984 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -91.74 -33.78 14.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.471 ' O ' ' O ' ' C' ' 9' ' ' VAL . 37.2 mt -100.29 142.64 31.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.084 0.468 . . . . 0.0 110.529 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 78.2 p -77.35 166.58 22.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.803 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -62.94 -36.21 82.68 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.086 0.47 . . . . 0.0 110.585 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.09 -44.06 95.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.164 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -63.61 -38.57 91.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.247 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.86 -47.18 68.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.009 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -61.94 -44.51 96.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -62.87 -38.3 90.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.378 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -59.59 -42.71 93.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.748 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . 0.5 ' NZ ' ' CE1' ' C' ' 74' ' ' PHE . 9.2 mmtm -60.68 -48.18 82.93 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.728 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.75 -41.62 78.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.835 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.44 -45.21 95.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.852 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -61.3 -45.94 92.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.587 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -57.74 -40.41 79.59 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.588 0.555 . . . . 0.0 110.618 -179.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.43 -42.31 95.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.009 0.433 . . . . 0.0 110.6 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -58.83 -43.11 90.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.347 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 35.5 m -87.91 18.99 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.91 0.385 . . . . 0.0 110.603 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 tp -70.02 121.44 17.42 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.18 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.09 20.32 73.09 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.1 127.9 34.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.989 0.424 . . . . 0.0 110.455 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -79.83 -29.47 40.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.765 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -102.56 6.15 39.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.732 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.2 1.25 89.92 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 37.8 t -152.8 146.22 24.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 tt -53.5 141.2 8.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.497 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 49.6 m -123.23 176.55 6.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.727 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 12.7 t -60.75 -36.68 79.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.758 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . 0.494 ' HG3' ' H ' ' C' ' 40' ' ' GLU . 0.0 OUTLIER -53.1 -48.46 67.77 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.213 0.53 . . . . 0.0 110.899 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . 0.494 ' H ' ' HG3' ' C' ' 39' ' ' LYS . 98.7 mt-10 -65.29 -40.73 94.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.091 0.472 . . . . 0.0 110.514 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.49 -39.53 84.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.375 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.5 -39.83 96.91 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -60.94 -40.36 92.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.0 0.428 . . . . 0.0 110.041 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 76.6 t -68.07 -40.56 83.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.534 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 23.4 mmt -60.98 -36.47 79.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.655 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -52.43 -36.66 54.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.393 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 8.7 mtt -63.59 -27.18 69.07 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.575 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 86.0 mt -85.67 3.08 42.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.468 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.21 3.98 86.82 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -98.97 127.07 44.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 110.542 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -136.96 60.4 28.75 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.323 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -71.72 160.34 48.36 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.932 2.421 . . . . 0.0 112.411 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.34 155.6 35.35 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.417 -179.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.28 -33.1 97.84 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.489 2.126 . . . . 0.0 112.058 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.93 -41.12 91.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.02 0.438 . . . . 0.0 110.377 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.73 -39.43 93.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.437 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.05 -41.23 97.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.575 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -65.58 -41.09 93.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.613 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -62.59 -42.25 99.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.238 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 93.0 mmm -63.54 -41.4 98.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.16 0.505 . . . . 0.0 110.603 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 7.7 mm -64.85 -42.51 95.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.952 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -57.71 -43.96 85.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.136 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -65.15 -42.24 93.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.939 0.399 . . . . 0.0 110.592 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 75.5 t -70.03 -39.74 77.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.809 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 52.2 t0 -51.29 143.22 11.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.428 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . 0.539 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 22.3 mm-40 -89.77 -42.03 11.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.058 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 55.2 p30 -102.73 -0.69 31.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.012 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.33 24.0 71.96 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 69' ' ' SER . . . . . 0.609 ' HG ' ' H ' ' C' ' 71' ' ' THR . 99.2 p -64.08 -19.85 65.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.837 0.351 . . . . 0.0 110.697 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.58 -8.82 78.33 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 71' ' ' THR . . . . . 0.609 ' H ' ' HG ' ' C' ' 69' ' ' SER . 76.3 p -131.7 163.8 27.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.453 0.168 . . . . 0.0 110.555 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 16.5 t -110.61 111.48 36.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.0 0.429 . . . . 0.0 110.149 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . 0.405 ' CG ' ' H ' ' C' ' 74' ' ' PHE . 33.0 t0 -87.54 -178.48 6.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.596 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . 0.5 ' CE1' ' NZ ' ' C' ' 21' ' ' LYS . 47.7 t80 -58.61 -49.6 76.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.153 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -65.09 -48.54 73.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.97 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -63.62 -41.05 98.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.484 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -60.04 -49.11 78.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.059 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.29 -46.14 91.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.999 0.428 . . . . 0.0 110.225 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 56.2 t -66.19 -40.47 87.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.397 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 61.9 ttp -57.26 -48.19 79.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.122 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 27.6 ttt -62.2 -44.31 96.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.867 0.365 . . . . 0.0 110.354 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 64.8 t -63.67 -43.28 98.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.618 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.701 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 10.5 tt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.861 0.362 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 67.9 m -65.24 149.35 50.1 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.501 0.667 . . . . 0.0 111.083 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.21 -36.04 78.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.299 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -58.56 -41.62 86.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.004 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.46 -40.46 97.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.218 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 78.7 mtp -62.85 -43.85 97.7 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.566 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 51.7 tpp -68.77 -32.59 72.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.328 0.585 . . . . 0.0 109.967 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . 0.632 ' O ' ' N ' ' C' ' 112' ' ' GLY . 37.9 tp60 -59.59 -50.33 74.29 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.858 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.61 -38.98 92.31 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.849 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.81 -37.43 67.54 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.709 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.18 -51.92 2.41 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.021 0.439 . . . . 0.0 111.361 -179.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 112' ' ' GLY . . . . . 0.632 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . . . . . . 0 CA--C 1.524 0.635 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.876 0.37 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.72 -42.19 98.62 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.949 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.445 ' O ' ' O ' ' C' ' 12' ' ' LEU . 56.4 t -64.16 -41.65 93.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.688 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -61.71 -40.25 94.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.979 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -85.11 -38.38 19.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.416 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.445 ' O ' ' O ' ' C' ' 9' ' ' VAL . 44.4 mt -114.8 142.25 46.79 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.983 0.42 . . . . 0.0 110.633 -179.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 63.0 p -80.12 167.03 20.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.406 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -60.05 -37.03 78.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.773 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -62.24 -42.56 99.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.54 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . 0.483 ' OE1' ' N ' ' C' ' 16' ' ' GLN . 0.0 OUTLIER -68.18 -39.62 82.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.669 179.669 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -59.05 -44.87 91.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.463 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -59.83 -44.86 93.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.45 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.65 -39.94 95.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.732 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -64.17 -40.4 96.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.037 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -61.01 -42.76 99.08 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.711 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.19 -39.69 86.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.768 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.16 -33.12 71.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.856 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . 0.417 ' CE2' ' CG2' ' C' ' 28' ' ' VAL . 86.3 t80 -55.16 -38.46 68.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.4 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.79 -40.63 93.33 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.048 0.451 . . . . 0.0 110.822 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 93.4 mt -61.26 -44.72 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.251 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -68.82 -27.65 66.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . 0.417 ' CG2' ' CE2' ' C' ' 24' ' ' PHE . 77.9 t -70.84 -25.75 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.797 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . 0.472 ' CD1' ' C ' ' C' ' 29' ' ' LEU . 0.7 OUTLIER -61.14 143.52 55.34 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.142 0.496 . . . . 0.0 110.624 179.467 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.79 -0.94 75.65 Favored Glycine 0 CA--C 1.519 0.299 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.94 97.2 5.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.974 0.416 . . . . 0.0 110.561 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . 0.426 ' CD ' ' N ' ' C' ' 32' ' ' GLU . 1.0 OUTLIER -68.36 -25.3 65.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.587 179.546 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -65.03 -21.02 66.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.478 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.3 9.72 81.41 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 47.5 t -139.92 149.07 42.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.899 0.38 . . . . 0.0 110.331 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . 0.424 ' N ' ' CD1' ' C' ' 36' ' ' ILE . 1.3 mm -63.57 113.3 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.051 -178.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 59.8 p -87.27 173.14 9.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.719 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 53.3 p -64.94 -35.28 80.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.517 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -63.69 -41.92 98.08 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.087 0.47 . . . . 0.0 110.559 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -61.49 -43.49 98.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.652 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.68 -38.67 82.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.412 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.49 -44.73 96.48 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -66.1 -40.25 90.59 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.299 0.571 . . . . 0.0 110.452 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.06 -41.77 94.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.361 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.4 mmt -60.57 -41.21 94.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.7 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -59.18 -41.42 88.44 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.328 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 25.3 mtm -62.77 -38.2 89.67 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.066 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.91 -8.49 44.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.597 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.2 5.83 72.3 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -118.35 154.01 33.07 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.942 0.401 . . . . 0.0 110.295 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -140.22 72.08 32.96 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -63.51 151.14 86.42 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 123.259 2.639 . . . . 0.0 111.955 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 60.7 p -64.2 151.01 91.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.898 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_exo -49.52 -36.57 40.22 Favored 'Trans proline' 0 N--CA 1.5 1.895 0 C-N-CA 122.387 2.058 . . . . 0.0 112.3 179.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -69.85 -38.39 76.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.073 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -61.04 -50.73 72.13 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 pp -71.68 -40.07 69.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.08 0.467 . . . . 0.0 110.657 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -61.35 -43.4 98.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.269 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -64.01 -41.53 97.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.541 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 2.4 ttt -59.63 -45.46 91.9 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.487 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.22 -40.59 89.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.268 0.556 . . . . 0.0 110.458 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -64.94 -42.36 94.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.911 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.86 -46.67 83.96 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.945 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 33.9 m -74.3 -20.47 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.744 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.505 ' OD2' ' N ' ' C' ' 70' ' ' GLY . 6.2 t0 -43.37 124.76 3.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.887 0.375 . . . . 0.0 110.247 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -84.78 -51.4 6.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.163 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 59.6 p30 -94.59 -0.76 54.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.905 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.24 16.92 69.61 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 97.4 p -70.18 -16.87 63.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.849 0.357 . . . . 0.0 110.86 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . 0.505 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 92.98 -4.51 74.99 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 68.8 p -132.66 166.26 22.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.735 0.302 . . . . 0.0 110.593 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 12.7 m -113.8 115.92 51.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.328 0.585 . . . . 0.0 110.844 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -74.59 -173.55 1.82 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.415 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -58.99 -46.26 88.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.435 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -65.65 -41.05 93.02 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.489 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.41 -39.42 94.44 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.418 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -60.64 -48.83 80.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.92 0.39 . . . . 0.0 111.153 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 4.4 tp -59.41 -62.06 2.16 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.296 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 15.0 p -53.74 -34.02 24.04 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.392 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 49.6 mmm -63.01 -40.7 98.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.625 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -56.34 17.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.105 0.478 . . . . 0.0 111.317 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 28.1 m -61.64 -29.69 46.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.153 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 80.1 ttt-85 . . . . . 0 C--N 1.33 -0.258 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.272 179.858 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 27.5 mm . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.902 0.382 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 37.1 t -71.13 143.93 50.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.803 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.6 -38.47 91.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.748 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -57.63 -45.2 85.72 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.938 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.22 -40.24 95.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.832 0.349 . . . . 0.0 110.351 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 52.1 ttm -60.14 -46.18 90.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.015 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 11.0 ttm -60.09 -45.47 92.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -61.62 -45.01 95.88 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.695 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.55 -40.19 95.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.966 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.91 -48.88 79.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.664 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 2.0 tt -78.33 -32.83 49.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.821 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.523 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -178.849 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.883 0.373 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.66 -49.94 74.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.156 -178.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.24 -34.21 68.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -61.74 -39.57 92.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.478 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -86.5 -40.28 15.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.673 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt -80.03 150.29 30.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.635 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 68.7 p -102.46 170.41 8.07 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.601 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.47 -36.43 75.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.285 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -59.89 -40.13 87.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.58 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -62.95 -42.57 99.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.513 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 5.4 tptm -62.88 -42.43 99.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.485 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -60.03 -39.67 86.7 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.242 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . 0.544 ' OE1' ' N ' ' C' ' 19' ' ' GLU . 0.0 OUTLIER -59.66 -48.07 83.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.668 179.857 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -71.08 -27.05 63.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.578 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -60.07 -42.07 93.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.337 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.87 -43.2 94.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.613 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.15 -38.76 91.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.733 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -57.4 -39.65 76.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.541 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -60.66 -38.93 86.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.161 0.505 . . . . 0.0 110.396 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . 0.403 HD12 HG21 ' C' ' 26' ' ' ILE . 96.7 mt -72.28 -39.43 63.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.242 0.544 . . . . 0.0 110.81 179.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . 0.535 ' C ' ' H ' ' C' ' 29' ' ' LEU . 2.4 m-85 -56.5 -41.71 77.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.993 -178.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 27.3 m -73.4 28.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . 0.535 ' H ' ' C ' ' C' ' 27' ' ' PHE . 3.4 pp -51.76 128.78 24.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.394 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.38 -6.06 58.4 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -108.7 99.56 8.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.811 0.338 . . . . 0.0 110.54 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -70.91 -27.38 63.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.395 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -65.45 -26.83 68.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.522 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.15 6.32 60.23 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 56.0 m -96.76 148.97 22.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 110.499 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 89.8 mt -103.74 119.72 52.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 37' ' ' SER . . . . . 0.436 ' OG ' ' OE1' ' C' ' 40' ' ' GLU . 83.1 p -83.3 167.28 17.76 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.547 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 81.1 p -64.04 -30.62 71.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.293 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.19 -42.27 99.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.442 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . 0.436 ' OE1' ' OG ' ' C' ' 37' ' ' SER . 2.4 mp0 -63.8 -46.82 83.42 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.733 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.2 -38.67 92.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.833 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.26 -40.72 97.75 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.85 -41.05 97.88 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.73 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 80.5 t -62.63 -48.64 87.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.077 0.465 . . . . 0.0 110.455 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 66.1 mtm -64.23 -40.12 95.39 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.057 179.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 11.8 mtm180 -53.67 -45.07 70.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.491 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 78.5 mtm -66.21 -32.72 74.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.348 178.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 8.0 tp -57.28 -21.98 38.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.392 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.89 9.99 41.35 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -107.15 173.7 6.21 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.268 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -113.76 96.65 41.73 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -78.03 154.46 29.39 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 C-N-CA 122.856 2.371 . . . . 0.0 112.077 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.22 124.9 21.59 Favored Pre-proline 0 N--CA 1.448 -0.564 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.305 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -49.95 -35.45 40.77 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.637 2.224 . . . . 0.0 111.895 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -67.66 -47.21 70.19 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.848 0.356 . . . . 0.0 110.644 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -68.66 -39.3 80.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.603 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 mt -59.58 -48.34 82.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? -63.74 -42.11 97.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.691 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -65.16 -44.19 89.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.412 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 16.6 tpt -63.73 -44.79 92.51 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.5 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 82.3 mt -62.94 -39.05 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.442 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -57.37 -44.47 84.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.407 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.18 -41.36 97.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.575 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 69.9 t -71.25 -38.81 71.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.348 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.429 ' OD2' ' N ' ' C' ' 70' ' ' GLY . 0.1 OUTLIER -38.71 105.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.101 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -89.0 -42.46 11.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.523 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.1 p30 -93.63 -1.06 55.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.831 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.73 19.55 69.43 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 96.6 p -67.03 -20.87 65.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.348 . . . . 0.0 110.626 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . 0.429 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 92.24 -5.59 78.18 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 71' ' ' THR . . . . . 0.427 ' O ' ' OE1' ' C' ' 76' ' ' GLU . 80.7 p -131.61 165.54 23.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.751 0.31 . . . . 0.0 110.723 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 3.5 m -87.62 104.05 14.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.644 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.44 -173.52 3.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.525 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -59.82 -46.91 87.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.803 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 30.3 p-10 -69.89 -44.95 68.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.721 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . 0.45 ' N ' ' OD1' ' C' ' 75' ' ' ASP . 98.6 mt-10 -63.02 -38.88 92.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.597 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -60.04 -45.55 92.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 6.7 tp -58.62 -43.15 89.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.555 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.21 -42.46 90.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.746 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 24.4 tpp -58.32 -42.98 87.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.193 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 9.9 ttt -77.5 -28.77 52.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.828 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 51.6 t -60.12 -47.29 92.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.177 -179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 5.1 ptm85 . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.03 -179.939 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 77.3 mt . . . . . 0 CA--C 1.527 0.075 0 CA-C-O 120.719 0.295 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 85.5 p -83.39 169.56 15.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.657 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.22 98.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.474 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -64.91 -42.18 94.95 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.512 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.29 -39.34 90.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.532 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 106' ' ' MET . . . . . 0.401 ' SD ' ' C ' ' C' ' 106' ' ' MET . 15.3 tmm? -60.97 -46.0 92.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.672 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 98.1 mtp -62.81 -41.51 99.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.761 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -63.06 -45.4 92.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.623 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.84 -40.01 91.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.746 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 6.7 tp -61.03 -44.83 96.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.461 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 12.2 tp -64.71 -41.54 95.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.341 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.539 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 -179.946 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.787 0.327 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.5 -52.0 67.49 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.289 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.72 -33.43 63.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.166 0.508 . . . . 0.0 110.326 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.16 -32.09 67.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -82.1 6.42 16.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.059 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.438 ' CD1' ' C ' ' C' ' 12' ' ' LEU . 4.3 pp -50.49 169.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.442 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 75.7 p -119.2 156.13 30.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.31 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.05 -39.54 92.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.488 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -61.3 -43.83 98.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.164 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -64.62 -41.02 96.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.598 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -61.11 -44.32 97.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.828 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -60.28 -44.12 95.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.63 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.52 -43.92 95.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.422 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -65.63 -37.0 85.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.556 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -60.33 -45.2 94.28 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.697 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.1 -45.66 87.65 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.41 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . 0.444 ' O ' HG13 ' C' ' 26' ' ' ILE . . . -65.29 -35.85 82.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.487 0.661 . . . . 0.0 110.036 179.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -70.02 -38.86 76.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.775 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -60.0 -51.2 70.66 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.973 0.416 . . . . 0.0 111.482 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . 0.444 HG13 ' O ' ' C' ' 23' ' ' ALA . 1.2 pt -64.82 -33.37 62.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.172 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -30.26 65.41 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 120.771 0.319 . . . . 0.0 110.73 179.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 53.5 t -74.43 -25.82 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt -50.95 130.34 25.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.698 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.55 -10.59 64.87 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.01 135.94 33.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 110.66 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -80.21 -37.8 32.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -88.75 -7.42 56.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.83 4.57 90.28 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 41.5 m -112.28 155.85 23.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.821 0.344 . . . . 0.0 110.483 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 83.3 mt -62.5 123.07 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.349 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 25.4 m -124.68 179.52 4.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.692 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.7 p -64.89 -28.5 69.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.642 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -61.18 -50.58 72.56 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -66.9 -40.19 87.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.583 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 2.9 mt -63.71 -42.01 98.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.201 0.524 . . . . 0.0 110.641 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.93 -41.61 99.67 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -59.18 -50.69 73.06 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.568 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 6.3 p -67.27 -37.26 78.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.822 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 49.5 mtt -61.03 -47.29 87.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.94 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 35.1 mtm180 -65.25 -38.49 90.51 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.747 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 47' ' ' MET . . . . . 0.568 ' C ' ' H ' ' C' ' 49' ' ' GLY . 62.4 ttp -58.56 -37.9 76.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.51 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 22.9 mt -67.11 13.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . 0.568 ' H ' ' C ' ' C' ' 47' ' ' MET . . . 74.84 42.2 31.6 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -126.14 164.08 21.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.95 0.405 . . . . 0.0 110.523 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -141.23 61.74 14.62 Favored Pre-proline 0 C--N 1.326 -0.421 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.712 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.05 152.51 28.03 Favored 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.795 2.33 . . . . 0.0 112.311 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.77 155.62 75.54 Favored Pre-proline 0 C--N 1.324 -0.503 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -50.26 -43.45 43.35 Favored 'Trans proline' 0 N--CA 1.498 1.767 0 C-N-CA 122.14 1.893 . . . . 0.0 112.181 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -72.63 -33.94 66.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.076 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -58.85 -55.06 40.02 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.426 -178.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.56 -35.93 79.97 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.201 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -58.65 -40.3 83.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.995 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -70.97 -38.08 72.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.435 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 96.5 mtp -60.68 -46.05 91.83 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 13.7 tt -68.12 -34.0 64.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.253 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -60.78 -47.85 84.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.621 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.14 -42.76 83.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.637 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' C' ' 65' ' ' ASP . 55.1 t -62.85 -38.74 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.551 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' C' ' 68' ' ' GLY . 11.0 t0 -34.92 146.04 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 O-C-N 123.595 0.559 . . . . 0.0 110.646 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . 0.446 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 17.5 tt0 -82.02 -51.22 8.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.488 -178.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 56.2 p30 -102.89 4.75 37.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.087 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' C' ' 65' ' ' ASP . . . 71.82 19.27 78.04 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 69' ' ' SER . . . . . 0.573 ' HG ' ' H ' ' C' ' 71' ' ' THR . 99.4 p -69.07 -16.43 63.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.714 0.293 . . . . 0.0 110.652 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . 0.425 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 83.42 1.32 90.27 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 71' ' ' THR . . . . . 0.573 ' H ' ' HG ' ' C' ' 69' ' ' SER . 11.6 m -139.37 140.4 37.45 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 96.3 t -104.6 123.31 58.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.532 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -97.34 175.98 6.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.769 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -58.36 -49.93 75.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.605 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 36.5 p-10 -64.86 -42.46 94.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.584 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . 0.494 ' N ' ' OD1' ' C' ' 75' ' ' ASP . 87.4 tt0 -64.87 -36.42 84.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.495 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -58.88 -47.78 83.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.379 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 6.9 mp -60.48 -47.26 86.92 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.741 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.76 -44.67 99.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.088 0.47 . . . . 0.0 110.249 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 80' ' ' MET . . . . . 0.415 ' SD ' ' C ' ' C' ' 80' ' ' MET . 18.5 tmm? -60.77 -42.87 98.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.642 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -60.99 2.59 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.692 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 27.0 m -60.58 -28.13 41.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.027 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 18.3 ttp180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.453 -179.728 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 30.0 pt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.837 0.351 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 75.7 m -92.66 160.08 15.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.573 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.66 90.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.66 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -62.91 -39.2 93.81 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 121.197 0.523 . . . . 0.0 110.31 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.54 -38.76 74.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.099 0.476 . . . . 0.0 110.839 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 28.6 ttt -60.99 -48.92 79.58 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.836 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 107' ' ' MET . . . . . 0.461 ' C ' ' SD ' ' C' ' 107' ' ' MET . 1.3 ppp? -66.55 -38.09 86.37 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.44 -179.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -64.63 -42.05 95.74 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.855 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.31 -42.43 99.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.754 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.8 -38.63 91.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.622 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.55 -0.81 57.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.101 0.476 . . . . 0.0 110.657 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.505 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.611 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 6.7 m80 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -104.18 -36.72 7.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.749 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 46.8 m170 57.31 -148.99 0.47 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.33 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' -10' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' C' ' -8' ' ' HIS . 58.7 t60 -149.19 125.06 10.56 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -97.91 -63.87 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.225 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' -8' ' ' HIS . . . . . 0.562 ' O ' ' CD2' ' C' ' -10' ' ' HIS . 22.6 m-70 -60.55 152.85 24.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -85.74 4.25 86.06 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . 69.43 16.92 72.02 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 3.7 tp 48.88 30.79 2.86 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.388 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' -4' ' ' VAL . . . . . 0.455 ' CG1' ' O ' ' C' ' -4' ' ' VAL . 11.0 p -133.12 74.64 72.9 Favored Pre-proline 0 C--O 1.232 0.142 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.649 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.55 150.99 65.48 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.977 2.452 . . . . 0.0 111.767 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 58.81 179.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.521 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . 85.47 -4.21 86.02 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 0' ' ' SER . . . . . 0.565 ' C ' ' H ' ' C' ' 2' ' ' ASP . 49.1 m -149.13 -120.39 0.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.785 0.326 . . . . 0.0 110.538 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 67.64 -12.49 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.628 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . 0.565 ' H ' ' C ' ' C' ' 0' ' ' SER . 98.5 m-20 -60.5 -37.87 82.49 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.368 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' C' ' 3' ' ' ASP . 23.4 p-10 -58.64 -41.79 86.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.659 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 87.5 mt -61.93 -45.71 98.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 110.385 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -65.54 -39.58 91.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.523 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -62.5 -42.89 99.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.58 99.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.888 0.375 . . . . 0.0 110.511 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' C' ' 12' ' ' LEU . . . -62.51 -41.53 98.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.422 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.462 ' O ' ' O ' ' C' ' 12' ' ' LEU . 53.0 t -63.21 -42.84 97.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.989 0.423 . . . . 0.0 110.717 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -63.81 -39.04 93.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.06 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -86.65 -31.02 21.31 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.264 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' C' ' 8' ' ' ALA . 39.6 mt -112.82 134.7 54.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.994 0.426 . . . . 0.0 110.578 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 69.2 p -85.82 171.75 11.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.49 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -60.22 -44.61 95.04 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.474 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.63 -40.62 92.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.146 0.498 . . . . 0.0 110.139 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -65.3 -38.86 91.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.225 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -59.41 -42.75 92.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.997 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -62.02 -40.44 95.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.007 0.432 . . . . 0.0 110.05 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -63.22 -40.13 96.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.946 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -57.29 -46.23 83.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.459 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.19 -39.98 88.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.511 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.19 -43.31 99.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 110.331 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.6 -40.61 97.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.519 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -60.41 -44.04 96.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.434 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -59.74 -41.91 92.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.533 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.58 -44.14 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.054 0.455 . . . . 0.0 110.329 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . 0.447 ' O ' ' OE1' ' C' ' 40' ' ' GLU . 8.1 m-85 -66.98 -30.98 71.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.387 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 95.1 t -71.69 -25.33 24.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.35 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 mt -67.51 126.91 30.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.519 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.21 -1.82 86.5 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.33 123.86 18.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 110.366 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -66.13 -43.18 87.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 54.4 p-10 -107.72 12.38 27.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.71 -4.96 85.82 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 56.8 m -128.79 151.03 50.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.848 0.356 . . . . 0.0 110.602 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 11.1 tt -42.05 138.65 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.448 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 15.9 t -141.0 -166.75 2.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.478 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.0 p -67.16 -38.32 85.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.403 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -66.73 -42.05 86.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.723 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' C' ' 27' ' ' PHE . 9.6 tp10 -65.11 -49.69 69.0 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.285 0.564 . . . . 0.0 110.823 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 27.2 tp -67.21 -39.28 86.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.699 0.761 . . . . 0.0 109.411 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.87 -33.89 88.44 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -59.92 -48.91 79.77 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.151 0.501 . . . . 0.0 110.677 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 p -66.14 -33.09 61.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.481 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.0 mmt -63.34 -41.38 98.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.648 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 mtp-105 -62.49 -40.92 98.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.083 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 27.0 ttp -61.56 -41.25 97.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.675 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 90.8 mt -67.35 -12.36 59.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.426 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.9 7.43 57.56 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -98.94 148.95 23.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.65 0.262 . . . . 0.0 110.363 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -132.34 70.93 79.83 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.181 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -72.77 147.34 44.49 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.711 2.274 . . . . 0.0 112.527 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 74.2 p -72.66 152.6 91.52 Favored Pre-proline 0 N--CA 1.45 -0.466 0 C-N-CA 120.117 -0.633 . . . . 0.0 111.006 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.61 -37.16 63.02 Favored 'Trans proline' 0 N--CA 1.498 1.738 0 C-N-CA 122.171 1.914 . . . . 0.0 112.052 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -64.2 -39.94 95.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.822 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.46 -40.88 98.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.342 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 98.3 mt -67.65 -40.16 84.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.683 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -63.74 -42.62 97.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.618 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.45 -39.97 92.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 15.1 mmt -61.03 -43.76 98.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.27 -45.23 94.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.295 0.569 . . . . 0.0 110.298 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -62.72 -40.35 96.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -66.05 -43.34 87.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.48 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -81.11 -20.79 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.83 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -57.2 140.62 49.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.061 0.458 . . . . 0.0 110.544 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -70.41 -44.72 67.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.58 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 48.3 p-10 -111.85 3.83 17.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.13 24.3 76.66 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 93.2 p -62.45 -22.69 66.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.726 0.298 . . . . 0.0 110.761 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.78 -12.45 65.92 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 62.7 m -134.34 137.56 44.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.757 0.313 . . . . 0.0 110.238 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 42.2 t -98.3 118.54 45.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' C' ' 75' ' ' ASP . 2.6 p30 -87.01 -176.46 5.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.628 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -58.6 -49.28 78.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . 0.537 ' N ' ' OD1' ' C' ' 73' ' ' ASP . 35.3 t70 -61.03 -48.81 80.06 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.055 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.47 -39.82 94.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.621 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -64.85 -40.74 95.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.774 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 tt -60.76 -52.21 66.08 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.978 0.418 . . . . 0.0 111.1 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 35.3 m -67.52 -31.63 53.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.664 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 65.6 ttp -61.32 -44.12 97.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.412 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 5.6 tpt -64.71 -42.9 94.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.961 0.41 . . . . 0.0 110.144 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.47 -42.52 96.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.465 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . 0.418 ' HE ' ' HE2' ' C' ' 86' ' ' LYS . 2.1 mtp180 -61.22 -41.86 97.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.724 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 84' ' ' 4J4 . . . . . 0.493 ' HAM' ' OD2' ' C' ' 88' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 16.7 mmt -66.07 -52.81 45.42 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.245 0.545 . . . . 0.0 111.785 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . 0.418 ' HE2' ' HE ' ' C' ' 83' ' ' ARG . 33.7 pttt -73.09 -31.91 64.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.994 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -60.41 -46.4 90.16 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.299 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . 0.493 ' OD2' ' HAM' ' C' ' 84' ' ' 4J4 . 71.2 m-20 -64.23 -40.92 97.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.361 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 46.8 t -62.13 -44.51 96.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.557 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -62.38 -45.02 95.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.605 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 91' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -90.82 89.65 7.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.499 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.66 -46.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.736 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 44.4 -102.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.619 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -158.23 157.77 33.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 46.38 89.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.59 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -76.47 174.89 53.48 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -127.61 153.3 46.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.782 0.325 . . . . 0.0 110.445 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -57.78 98.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.202 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . 0.497 ' O ' ' N ' ' C' ' 101' ' ' ILE . 64.2 t -105.65 101.28 12.17 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.162 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 100' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' C' ' 99' ' ' VAL . 89.9 mtm180 34.31 -92.87 0.01 OUTLIER 'General case' 0 C--O 1.232 0.154 0 O-C-N 123.694 0.621 . . . . 0.0 110.502 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 101' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' C' ' 99' ' ' VAL . 1.0 OUTLIER -138.82 151.61 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.65 179.822 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 56.9 m -85.31 148.61 25.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.625 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.44 94.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.418 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -62.89 -42.6 99.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.438 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.67 -44.06 96.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.627 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 65.9 ttp -63.42 -42.96 98.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.546 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 1.6 ttp -60.63 -44.32 96.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.372 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -63.67 -40.07 95.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.437 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.66 -40.8 96.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.66 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.43 -40.49 97.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.476 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 2.5 mp -72.22 -31.45 65.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.718 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . 62.79 -132.23 43.64 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.47 140.41 42.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.805 0.336 . . . . 0.0 110.794 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -64.8 138.54 58.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.144 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -147.68 127.89 13.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.739 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -129.4 13.43 6.05 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.941 0.4 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' C' ' 120' ' ' ASP . 39.9 mt-10 -62.13 -11.79 16.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.315 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 47.8 t -59.82 -43.17 94.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.323 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 2.0 tt -65.48 -43.14 91.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.813 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' C' ' 117' ' ' GLU . 0.2 OUTLIER -107.17 113.37 26.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.611 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 2.0 mp -104.66 -50.97 3.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.068 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . 0.614 HH11 ' H ' ' C' ' 122' ' ' ARG . 0.0 OUTLIER -62.54 -40.61 97.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.745 -179.512 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -104.55 133.07 50.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.112 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 124' ' ' HIS . . . . . 0.485 ' O ' ' ND1' ' C' ' 124' ' ' HIS . 30.9 p80 -111.33 118.48 35.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 58.2 tp -130.94 115.51 16.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.253 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.464 179.666 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' -13' ' ' HIS . . . . . 0.402 ' HA ' ' H ' ' C' ' -6' ' ' GLY . 69.2 m80 . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.43 20.54 11.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.614 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -93.86 128.11 39.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.739 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -64.0 -12.54 39.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.552 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -82.56 70.3 9.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.52 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' -8' ' ' HIS . . . . . 0.437 ' CG ' ' O ' ' C' ' -8' ' ' HIS . 18.8 t-80 57.5 42.55 24.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.771 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -75.7 -174.13 35.61 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' -6' ' ' GLY . . . . . 0.402 ' H ' ' HA ' ' C' ' -13' ' ' HIS . . . -59.31 -39.56 94.84 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.54 149.71 42.01 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.732 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' -4' ' ' VAL . . . . . 0.523 ' C ' ' H ' ' C' ' -2' ' ' ARG . 28.4 t -134.52 79.79 52.99 Favored Pre-proline 0 C--O 1.233 0.203 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.556 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -65.12 34.33 0.11 Allowed 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.888 2.392 . . . . 0.0 112.26 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' -2' ' ' ARG . . . . . 0.523 ' H ' ' C ' ' C' ' -4' ' ' VAL . 19.3 mmt85 50.92 -130.62 2.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.556 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . -81.7 62.4 4.52 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.14 177.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.666 0.27 . . . . 0.0 110.527 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.521 ' SD ' ' CG ' ' C' ' 66' ' ' GLU . 17.8 mtp -105.7 -6.08 19.44 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.235 0.541 . . . . 0.0 110.775 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -58.12 -36.8 73.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.321 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -59.45 -39.47 83.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.485 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 94.8 mt -61.2 -46.64 96.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.078 0.466 . . . . 0.0 110.169 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -61.12 -47.51 85.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.816 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 11.8 mmtm -61.32 -39.87 92.09 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.49 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.72 92.22 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.574 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.33 -48.18 82.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.944 0.402 . . . . 0.0 111.485 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.4 HG13 ' N ' ' C' ' 10' ' ' GLU . 0.4 OUTLIER -68.24 -36.04 73.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.571 -179.519 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . 0.4 ' N ' HG13 ' C' ' 9' ' ' VAL . 88.6 tt0 -69.61 -44.77 70.02 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.811 -179.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -71.05 -40.34 71.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.639 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 86.7 mt -86.19 144.64 27.36 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.429 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' THR . . . . . 0.418 ' HG1' ' NE2' ' C' ' 16' ' ' GLN . 48.2 p -103.17 -179.75 4.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.616 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -58.0 -42.14 84.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.323 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.97 -46.67 89.8 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.386 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . 0.503 ' NE2' ' N ' ' C' ' 16' ' ' GLN . 0.9 OUTLIER -63.82 -39.17 93.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.052 0.453 . . . . 0.0 110.382 179.673 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -60.96 -40.41 93.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.51 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -61.12 -43.09 99.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.18 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.36 -39.37 94.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.54 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -63.14 -44.41 95.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.717 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.89 -41.1 97.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.975 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.59 -46.5 89.61 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.573 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.66 -40.76 95.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.452 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -64.7 -38.92 92.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.346 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -59.54 -43.79 93.39 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.342 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 98.3 mt -70.5 -41.18 78.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.124 0.488 . . . . 0.0 110.333 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -41.22 89.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.822 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 10.3 m -90.96 24.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 63.3 tp -62.52 125.61 24.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.263 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.02 -10.93 73.4 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -112.29 91.78 3.78 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.974 0.416 . . . . 0.0 110.274 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -62.51 -19.87 64.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.344 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -63.76 -24.48 67.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.556 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.58 14.11 82.33 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 68.5 m -115.57 146.54 41.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.683 0.278 . . . . 0.0 110.536 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 12.5 mm -83.14 122.57 37.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.084 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 22.6 t -121.12 -164.62 1.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.416 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 66.7 p -66.36 -36.97 84.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.314 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.32 -43.17 95.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.86 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.06 -48.02 77.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.019 0.438 . . . . 0.0 110.785 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.59 -37.26 73.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.548 0.69 . . . . 0.0 110.575 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.04 -32.57 71.31 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -58.77 -44.5 90.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.846 0.355 . . . . 0.0 110.296 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 52.9 t -62.66 -41.49 92.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.025 0.441 . . . . 0.0 109.997 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.3 mmt -59.7 -42.45 93.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.244 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -64.12 -37.01 85.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.363 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 53.6 ttm -56.52 -43.65 80.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.746 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.52 -7.83 55.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.494 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.66 13.37 59.68 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -103.71 136.31 43.65 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -128.58 81.39 70.76 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-O 120.935 0.398 . . . . 0.0 110.287 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -76.13 161.69 35.12 Favored 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.869 2.379 . . . . 0.0 112.639 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 29.8 p -67.35 150.68 97.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.656 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -63.58 -29.04 70.05 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 122.485 2.123 . . . . 0.0 112.158 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -65.05 -41.87 94.76 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 121.562 0.696 . . . . 0.0 110.645 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -70.9 -35.7 72.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.595 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.84 -45.16 95.61 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.298 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -68.82 -33.52 73.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.606 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -62.99 -41.47 99.58 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.808 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 67.7 mtt -64.14 -40.98 97.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 38.2 mm -63.63 -43.41 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.698 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -58.77 -47.26 85.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.389 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -63.89 -43.55 95.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.004 0.431 . . . . 0.0 110.931 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' C' ' 65' ' ' ASP . 58.2 t -66.54 -39.17 83.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.961 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 50.2 t0 -35.27 142.77 0.05 Allowed 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.747 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . 0.548 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 42.5 tt0 -84.74 -50.58 7.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.303 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -103.17 2.59 34.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.016 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.01 23.84 74.46 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 69' ' ' SER . . . . . 0.461 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 95.4 p -63.81 -19.45 65.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 0.0 110.777 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.0 -11.17 71.21 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 92.4 m -139.06 141.75 38.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.657 0.265 . . . . 0.0 110.764 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 92.8 t -101.24 122.6 53.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.495 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -101.8 -177.93 3.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.643 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -59.49 -47.06 86.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.737 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -59.32 -49.55 77.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.9 -38.08 89.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.665 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -59.16 -48.07 82.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.824 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.69 -45.08 93.18 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.374 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.84 -46.18 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.88 0.371 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 40.8 mtp -62.6 -40.77 97.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 9.2 tpt -61.94 -44.41 96.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.417 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.92 -45.56 94.41 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.149 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.161 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -59.33 -41.15 88.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.146 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 78.3 mtm -62.92 -40.2 96.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -61.37 -46.33 90.63 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.147 0.499 . . . . 0.0 110.284 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -64.71 -42.21 95.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.491 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -60.97 -37.98 84.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.379 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 60.9 m -59.38 -45.62 90.96 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.507 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.91 -40.74 95.54 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.638 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 91' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' C' ' 95' ' ' GLN . 0.1 OUTLIER 40.92 29.79 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.369 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 95.6 mt 46.17 65.09 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.7 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 48.0 t80 67.06 -73.79 0.07 Allowed 'General case' 0 N--CA 1.463 0.214 0 O-C-N 123.47 0.481 . . . . 0.0 110.657 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -150.18 81.51 1.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.349 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 95' ' ' GLN . . . . . 0.488 ' O ' ' ND2' ' C' ' 91' ' ' ASN . 32.0 tt0 -118.14 125.08 49.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.673 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.6 6.32 44.88 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.43 151.59 47.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.908 0.385 . . . . 0.0 110.908 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 50.1 -124.89 2.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.687 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 33.1 m -51.42 134.91 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.328 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -133.36 0.65 3.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.816 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 101' ' ' ILE . . . . . 0.41 HD12 HG23 ' C' ' 101' ' ' ILE . 91.4 mt -114.39 125.92 71.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.437 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 68.3 m -70.69 153.32 42.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.57 91.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.824 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -58.2 -45.51 87.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.57 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.18 -41.24 97.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 110.39 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 48.0 tpp -67.06 -40.25 87.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.501 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 61.7 ttp -60.29 -46.87 88.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.708 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -61.33 -45.57 93.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.487 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 109' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' C' ' 112' ' ' GLY . . . -63.87 -39.35 93.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.533 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 25.2 tp -68.09 -41.62 81.59 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.548 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.99 -50.22 17.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.489 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 112' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' C' ' 109' ' ' ALA . . . -114.73 178.69 18.12 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . 0.495 ' C ' ' H ' ' C' ' 115' ' ' ALA . . . 66.0 138.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.912 0.387 . . . . 0.0 110.505 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 59.56 3.9 0.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.624 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . 0.495 ' H ' ' C ' ' C' ' 113' ' ' ALA . . . -73.48 149.46 42.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.729 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -69.27 124.33 23.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.753 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -78.04 -23.72 48.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.753 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 74.6 m -62.38 -41.28 98.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.541 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 119' ' ' LEU . . . . . 0.41 ' O ' ' OD2' ' C' ' 120' ' ' ASP . 0.5 OUTLIER -96.82 -55.32 2.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' C' ' 121' ' ' LEU . 0.0 OUTLIER 55.07 173.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.57 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . 0.44 ' N ' ' OD1' ' C' ' 120' ' ' ASP . 77.9 mt -83.32 69.2 9.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.366 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 49.31 63.86 1.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.63 0.728 . . . . 0.0 110.642 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' C' ' 124' ' ' HIS . . . -63.72 148.41 49.17 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.585 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 124' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' C' ' 123' ' ' ALA . 19.4 t-80 58.74 116.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.605 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 23.6 mt -70.47 138.47 51.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.297 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 64.2 mttp . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.902 -1.047 . . . . 0.0 110.488 179.93 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 20.4 m80 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -118.41 117.22 28.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.3 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' -11' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' C' ' -9' ' ' HIS . 20.0 m80 42.19 -144.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.521 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' -10' ' ' HIS . . . . . 0.462 ' CG ' ' N ' ' C' ' -9' ' ' HIS . 12.5 t-160 40.07 -98.51 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.548 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' -9' ' ' HIS . . . . . 0.462 ' N ' ' CG ' ' C' ' -10' ' ' HIS . 0.2 OUTLIER -97.92 97.06 8.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.441 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -73.26 164.4 26.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.385 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -159.24 179.05 35.13 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . 113.27 95.52 2.17 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 10.3 mt -107.14 17.93 22.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.519 0.2 . . . . 0.0 110.705 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 14.5 t -129.1 81.63 70.26 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.317 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.62 146.37 91.83 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.96 2.44 . . . . 0.0 111.734 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.32 174.8 6.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.581 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . 103.96 161.85 24.75 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 3.1 m -130.23 -84.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.686 0.279 . . . . 0.0 110.417 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.3 mmm -62.59 -23.02 66.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.599 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -61.68 -28.14 69.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.805 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -59.6 -30.07 68.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.439 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -48.26 -31.51 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.728 -179.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -59.9 -47.73 84.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.853 0.359 . . . . 0.0 110.252 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -63.63 -42.19 98.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.271 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.45 93.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.09 -46.91 88.01 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.299 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.49 ' O ' ' O ' ' C' ' 12' ' ' LEU . 21.4 m -75.18 -32.54 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.189 0.519 . . . . 0.0 110.42 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -60.19 -39.45 86.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.284 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -88.22 -33.48 18.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.279 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.49 ' O ' ' O ' ' C' ' 9' ' ' VAL . 68.8 mt -110.73 140.05 45.47 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.033 0.444 . . . . 0.0 110.872 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 67.3 p -69.44 156.82 38.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.525 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -64.34 -42.08 96.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.657 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -62.76 -42.63 99.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.691 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -64.19 -38.89 92.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.914 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -63.27 -45.27 92.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.636 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -62.96 -39.69 95.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.658 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.9 -42.61 99.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.634 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -67.45 -35.98 80.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.124 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.66 -47.06 83.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.333 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.42 98.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.906 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.53 94.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.672 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . 0.461 ' CD2' ' CE1' ' C' ' 74' ' ' PHE . 69.3 t80 -58.3 -39.43 79.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.66 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -49.76 -28.96 6.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.536 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.62 -38.96 83.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.378 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -61.03 -29.79 69.93 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.665 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . 0.462 ' O ' ' CG1' ' C' ' 28' ' ' VAL . 58.5 t -83.69 26.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.424 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 33.1 tp -60.72 101.92 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.014 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.8 39.8 48.02 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.15 135.45 49.35 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.609 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -66.19 -43.22 87.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.519 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -105.08 10.92 33.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.704 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.18 3.77 90.61 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' SER . . . . . 0.433 ' OG ' ' OD1' ' C' ' 73' ' ' ASP . 37.6 m -135.3 176.56 8.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.988 0.423 . . . . 0.0 110.902 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 36.0 mt -69.61 123.62 23.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.723 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 37.7 t -111.81 169.38 8.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.51 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.68 -33.9 66.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.474 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -63.08 -42.9 99.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.688 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -70.81 -43.74 68.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.054 0.454 . . . . 0.0 111.042 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 tp -64.61 -27.09 68.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.615 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.08 -38.52 93.14 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -43.96 97.71 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.63 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.18 -46.37 96.76 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.47 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 24.8 mmt -64.74 -37.51 87.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.583 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -53.17 -56.47 16.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.854 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 20.7 ptt? -70.31 -21.33 62.94 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.534 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 16.4 tp -65.19 -14.6 61.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.192 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.21 9.6 44.33 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -124.17 140.39 53.01 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -133.21 58.22 33.02 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.75 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -72.05 159.38 50.22 Favored 'Trans proline' 0 C--N 1.307 -1.613 0 C-N-CA 122.911 2.408 . . . . 0.0 112.451 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 17.8 p -63.82 150.24 91.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.838 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -62.05 -30.93 83.49 Favored 'Trans proline' 0 N--CA 1.492 1.441 0 C-N-CA 122.143 1.896 . . . . 0.0 112.245 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.03 -39.98 95.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.234 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -65.53 -42.01 92.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.548 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 16.5 mt -64.57 -40.88 96.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.044 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -61.73 -43.1 99.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.673 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -63.94 -42.34 97.37 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.074 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 65.7 mtt -63.62 -41.45 98.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.68 -40.75 89.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.426 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -59.86 -41.07 90.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.372 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.69 -45.28 75.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.689 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 72.3 t -67.82 -39.12 81.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.76 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' C' ' 69' ' ' SER . 60.5 t0 -52.38 127.62 22.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.962 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -72.67 -42.54 64.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.545 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -90.78 -1.26 57.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.08 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.83 19.71 67.74 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 69' ' ' SER . . . . . 0.535 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 94.3 p -71.37 -16.98 62.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.767 0.317 . . . . 0.0 110.818 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . 0.467 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 86.12 -2.59 87.61 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 70.1 p -131.41 157.28 43.85 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.597 0.237 . . . . 0.0 110.548 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 t -101.96 112.42 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.917 0.389 . . . . 0.0 110.492 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . 0.433 ' OD1' ' OG ' ' C' ' 35' ' ' SER . 90.3 m-20 -85.14 177.27 7.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.524 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . 0.461 ' CE1' ' CD2' ' C' ' 24' ' ' PHE . 5.7 m-85 -59.27 -46.88 87.33 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 1.2 p30 -66.45 -45.29 80.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.904 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . 0.509 ' N ' ' OD1' ' C' ' 75' ' ' ASP . 30.5 tt0 -62.36 -43.7 98.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.827 0.346 . . . . 0.0 110.627 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -61.12 -44.0 98.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.508 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 4.4 tp -55.19 -41.25 71.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.162 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 61.5 t -69.05 -42.6 82.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.939 0.399 . . . . 0.0 110.542 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 18.5 ttp -59.96 -45.19 93.46 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.387 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 10.4 tpp -61.18 -45.65 93.72 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.024 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.46 -45.73 98.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.004 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -60.91 -43.6 98.35 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.67 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 84' ' ' 4J4 . . . . . 0.601 ' SG ' ' N ' ' C' ' 85' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 85' ' ' MET . . . . . 0.601 ' N ' ' SG ' ' C' ' 84' ' ' 4J4 . 61.1 tpp -66.84 -38.02 85.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.618 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -52.67 -54.05 38.78 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.572 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -64.44 -46.02 84.98 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.801 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -62.96 -39.02 93.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.586 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 97.9 p -68.12 -41.85 81.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . 0.461 ' O ' ' OD1' ' C' ' 91' ' ' ASN . 57.1 mt-10 -67.73 -49.86 60.35 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.426 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 91' ' ' ASN . . . . . 0.461 ' OD1' ' O ' ' C' ' 90' ' ' GLU . 78.4 m-20 -155.29 -134.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.418 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 38.2 tp -152.31 -38.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.569 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 54.6 -132.8 1.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.411 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.56 -38.52 2.08 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.652 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -104.17 136.71 43.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.802 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . 131.36 105.01 1.01 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 52.17 88.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.979 0.419 . . . . 0.0 110.381 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -96.13 84.05 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.597 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 23.8 m -134.61 159.0 41.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.426 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 45.3 ptt85 -101.14 26.71 6.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.646 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 21.5 tt -136.42 138.25 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.569 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 26.6 t -89.23 161.78 16.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.01 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.27 83.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.34 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.19 -42.12 94.4 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.16 0.505 . . . . 0.0 109.995 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.88 -39.78 66.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.069 0.462 . . . . 0.0 110.505 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 16.9 tpt -61.57 -49.4 76.79 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.451 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -66.97 -34.02 76.84 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.249 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -61.93 -46.08 90.9 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.495 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.07 -41.6 94.93 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.831 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.89 -40.21 96.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.682 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.45 -16.71 62.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.48 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . 70.42 25.85 75.05 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.83 144.15 55.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.633 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 114' ' ' ARG . . . . . 0.462 ' O ' ' CB ' ' C' ' 115' ' ' ALA . 26.9 mtp-105 -100.85 -150.67 0.39 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.403 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' C' ' 114' ' ' ARG . . . 79.71 172.9 0.15 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.451 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -72.63 142.71 48.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . 0.452 ' O ' ' OD1' ' C' ' 120' ' ' ASP . 94.1 mt-10 -73.18 -34.26 65.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.577 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 86.3 p -60.62 -37.83 82.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.753 -179.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 119' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' C' ' 121' ' ' LEU . 2.3 mp -81.67 -56.67 3.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.739 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' C' ' 117' ' ' GLU . 7.8 p-10 33.12 35.79 0.01 OUTLIER 'General case' 0 C--O 1.232 0.182 0 O-C-N 123.752 0.658 . . . . 0.0 110.491 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' C' ' 119' ' ' LEU . 3.0 tp 61.75 160.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.294 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . 0.418 ' CB ' ' HE2' ' C' ' 124' ' ' HIS . 19.4 mmm180 -70.62 146.72 49.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.319 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.61 118.06 26.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.682 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 124' ' ' HIS . . . . . 0.418 ' HE2' ' CB ' ' C' ' 122' ' ' ARG . 97.7 m-70 -138.58 143.64 39.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.313 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 17.3 tp -89.01 112.82 23.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.835 0.35 . . . . 0.0 110.362 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.443 179.881 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' -13' ' ' HIS . . . . . 0.442 ' O ' ' O ' ' C' ' -10' ' ' HIS . 72.6 m-70 . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' -12' ' ' HIS . . . . . 0.452 ' NE2' ' NE2' ' C' ' -11' ' ' HIS . 50.8 p-80 -60.5 -24.44 65.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.645 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' -11' ' ' HIS . . . . . 0.452 ' NE2' ' NE2' ' C' ' -12' ' ' HIS . 84.0 m-70 -67.09 -39.84 86.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.972 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' -10' ' ' HIS . . . . . 0.442 ' O ' ' O ' ' C' ' -13' ' ' HIS . 74.1 m80 -139.97 141.68 36.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.555 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 43.6 p-80 -76.9 169.03 19.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.774 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.83 -48.22 3.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.719 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . 82.41 5.53 89.48 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' -6' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' C' ' -4' ' ' VAL . . . -60.57 -40.6 98.07 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 2.7 tp 60.26 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.784 0.326 . . . . 0.0 110.478 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' -4' ' ' VAL . . . . . 0.527 ' N ' ' O ' ' C' ' -6' ' ' GLY . 43.7 t -145.3 71.38 14.43 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.574 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' -3' ' ' PRO . . . . . 0.571 ' O ' ' N ' ' C' ' -1' ' ' GLY . 68.6 Cg_endo -78.99 64.13 8.79 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.677 2.252 . . . . 0.0 112.126 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 56.38 -74.91 0.01 OUTLIER 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.018 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' -1' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' C' ' -3' ' ' PRO . . . 62.15 -132.32 45.56 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 1.3 t -74.46 -175.27 2.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.765 0.317 . . . . 0.0 110.663 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.68 108.38 19.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.566 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' C' ' 2' ' ' ASP . 66.4 t0 -58.98 -29.56 67.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.602 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -58.18 -41.67 84.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.805 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.25 -43.34 98.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.19 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -63.44 -43.08 98.46 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.274 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -63.2 -44.15 96.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.48 -42.56 98.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.67 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.25 99.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.487 ' O ' ' O ' ' C' ' 12' ' ' LEU . 63.1 t -63.51 -42.71 97.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.452 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.87 -45.65 92.85 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.939 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -71.44 -40.65 70.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' C' ' 9' ' ' VAL . 87.6 mt -89.1 145.69 25.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.8 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 46.0 p -115.7 178.75 4.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.248 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -60.18 -40.61 90.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.847 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . 0.546 ' O ' ' ND2' ' C' ' 18' ' ' ASN . 88.1 tt0 -62.06 -40.89 97.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.147 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -62.66 -40.79 98.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.671 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -61.65 -39.98 93.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.556 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' C' ' 15' ' ' GLU . 0.1 OUTLIER -63.26 -47.81 80.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.273 -179.84 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . 0.472 ' N ' ' CG ' ' C' ' 18' ' ' ASN . 0.8 OUTLIER -65.36 -40.33 93.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.647 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.96 -26.49 68.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.353 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -59.53 -39.72 84.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.207 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.96 97.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.704 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.33 99.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.916 0.388 . . . . 0.0 110.505 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -60.49 -43.34 97.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.506 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -59.19 -41.4 88.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.722 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.19 -41.75 89.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.95 0.405 . . . . 0.0 110.597 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -63.06 -37.57 87.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.177 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 19.0 m -102.49 28.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.81 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.28 121.84 15.73 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.036 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.71 12.27 80.3 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.35 111.25 12.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.775 0.321 . . . . 0.0 110.162 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.05 -39.73 95.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.687 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -87.94 -10.19 51.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.631 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.86 -8.22 80.16 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 97.3 p -102.8 159.63 15.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.708 0.289 . . . . 0.0 110.561 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 1.9 tt -83.3 121.89 36.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.597 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' SER . . . . . 0.449 ' OG ' ' OE1' ' C' ' 40' ' ' GLU . 10.6 p -120.82 -165.58 1.23 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.357 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 46.8 p -64.84 -38.17 90.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.761 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.73 -44.14 96.98 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.957 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . 0.449 ' OE1' ' OG ' ' C' ' 37' ' ' SER . 43.2 mp0 -63.96 -45.02 90.98 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.147 0.499 . . . . 0.0 110.811 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 tt -67.34 -40.46 85.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.855 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.69 -39.91 98.06 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -59.19 -45.9 89.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.3 -42.84 95.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.518 -0.473 . . . . 0.0 109.971 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 13.2 mmt -62.26 -41.57 98.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.985 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.71 -39.67 94.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.989 0.423 . . . . 0.0 110.447 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 64.1 ttp -62.07 -40.59 96.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.183 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 7.4 mp -74.04 -3.85 31.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.67 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.9 7.01 66.61 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -95.57 139.17 32.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.729 0.299 . . . . 0.0 110.592 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -131.74 66.21 77.5 Favored Pre-proline 0 N--CA 1.462 0.169 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -71.67 152.85 59.51 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 122.601 2.2 . . . . 0.0 112.13 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 21.5 p -70.7 151.97 95.27 Favored Pre-proline 0 C--N 1.323 -0.574 0 C-N-CA 120.354 -0.539 . . . . 0.0 111.234 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.79 -39.84 82.42 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 121.842 1.695 . . . . 0.0 112.714 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . 0.477 ' CG ' ' N ' ' C' ' 56' ' ' GLU . 21.3 pt-20 -62.51 -42.4 99.48 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.827 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . 0.477 ' N ' ' CG ' ' C' ' 55' ' ' GLU . 56.7 mt-10 -64.1 -40.7 96.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.495 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.16 -42.46 99.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.977 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -64.49 -42.71 95.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.705 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -64.94 -42.19 94.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.502 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 87.5 mtp -62.95 -42.25 99.76 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.812 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 81.2 mt -62.77 -42.73 97.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.594 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -59.7 -41.8 91.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.638 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.25 -44.42 95.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.894 0.378 . . . . 0.0 110.457 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 57.4 t -76.7 -38.48 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 63.8 t0 -42.09 143.39 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.758 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . 0.519 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 50.8 mt-10 -85.95 -43.3 13.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.202 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.9 p30 -105.67 -0.88 25.18 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.129 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.87 17.85 67.89 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 69' ' ' SER . . . . . 0.47 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 88.2 p -71.57 -15.9 62.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.906 0.384 . . . . 0.0 110.787 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.24 -18.98 56.33 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 84.7 m -134.05 138.7 45.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.556 0.217 . . . . 0.0 110.474 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . 0.413 ' CG1' ' SD ' ' C' ' 80' ' ' MET . 34.4 m -107.46 134.89 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.991 0.424 . . . . 0.0 110.693 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -88.89 -177.3 5.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.398 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.24 -46.97 87.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.401 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -61.34 -46.69 89.18 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.06 0.457 . . . . 0.0 110.862 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -65.52 -37.46 86.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.384 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -59.04 -47.04 86.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.384 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.02 -42.12 89.4 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.353 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 64.5 t -63.5 -40.53 89.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.535 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 80' ' ' MET . . . . . 0.413 ' SD ' ' CG1' ' C' ' 72' ' ' VAL . 82.3 mtp -59.74 -40.03 86.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.208 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 6.1 tpt -55.12 -58.25 8.42 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.118 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 10.7 p -71.95 -40.7 68.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 120.842 0.353 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' C' ' 86' ' ' LYS . 51.2 ttt85 -58.46 -39.6 80.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.882 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 84' ' ' 4J4 . . . . . 0.51 ' C ' ' O ' ' C' ' 83' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 11.8 mtm -65.05 -38.89 92.32 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.313 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . 0.545 ' N ' ' O ' ' C' ' 83' ' ' ARG . 2.2 tmtt? -56.83 -51.8 67.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.761 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' C' ' 83' ' ' ARG . 2.2 p-10 -65.4 -38.05 88.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.863 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -60.33 -45.45 93.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.647 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 72.9 m -63.05 -40.6 98.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.628 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -62.15 -42.66 99.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.545 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 91' ' ' ASN . . . . . 0.553 ' ND2' ' O ' ' C' ' 95' ' ' GLN . 2.4 t30 -60.37 -37.33 80.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.354 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 92' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' C' ' 91' ' ' ASN . 1.6 tp 85.25 -153.75 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.225 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -107.41 15.74 24.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.448 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.17 -67.5 0.51 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.981 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 95' ' ' GLN . . . . . 0.553 ' O ' ' ND2' ' C' ' 91' ' ' ASN . 2.3 mt-30 -123.87 147.67 47.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.599 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 96' ' ' GLY . . . . . 0.436 ' C ' ' H ' ' C' ' 98' ' ' ARG . . . -140.77 -71.37 0.04 OUTLIER Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 14.3 ttm105 66.24 0.2 1.62 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 98' ' ' ARG . . . . . 0.436 ' H ' ' C ' ' C' ' 96' ' ' GLY . 65.5 ttp85 -99.92 100.28 11.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.201 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' C' ' 98' ' ' ARG . 0.4 OUTLIER 40.61 -162.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.419 -179.502 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 100' ' ' ARG . . . . . 0.426 ' H ' HG12 ' C' ' 99' ' ' VAL . 0.0 OUTLIER -134.05 7.63 3.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.654 -179.736 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 22.0 pt -128.67 155.03 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.697 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 83.4 p -73.99 167.09 22.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.648 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.2 -37.99 81.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.435 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -57.88 -49.05 78.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 110.324 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.69 -38.76 92.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.041 0.448 . . . . 0.0 110.588 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.06 -38.32 82.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.424 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 59.0 ttm -57.22 -47.94 80.05 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.106 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -66.05 -42.13 89.9 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.366 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 109' ' ' ALA . . . . . 0.547 ' O ' ' N ' ' C' ' 113' ' ' ALA . . . -63.6 -39.1 93.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.813 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 5.9 tp -58.72 -61.91 2.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.407 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.12 -39.9 95.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.703 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 112' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' C' ' 114' ' ' ARG . . . -77.73 -12.84 84.08 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' C' ' 109' ' ' ALA . . . 49.06 -89.03 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.691 0.282 . . . . 0.0 110.53 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 114' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' C' ' 112' ' ' GLY . 30.4 mtp180 -103.39 154.01 19.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.236 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -44.34 106.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.357 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -171.41 148.07 2.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.688 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -109.56 89.72 3.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.876 0.37 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 47.2 t -63.3 -44.59 94.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.65 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 119' ' ' LEU . . . . . 0.55 ' CD2' ' H ' ' C' ' 119' ' ' LEU . 0.1 OUTLIER -61.44 -68.89 0.27 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.751 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -77.89 131.59 37.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.507 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 95.3 mt -120.63 121.39 38.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.267 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.88 177.36 7.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.554 -179.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . 54.68 92.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.396 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -70.86 135.24 47.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.049 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 86.7 mt -89.43 143.78 26.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.553 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 63.7 mttp . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.569 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' -13' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' C' ' -11' ' ' HIS . 4.0 t-80 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 85.0 t60 52.18 -91.05 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.476 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' -11' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' C' ' -13' ' ' HIS . 64.5 t-80 -62.94 -44.33 96.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.677 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -73.22 148.12 44.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.728 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -79.6 138.84 37.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.571 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -97.12 -9.17 28.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.325 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -61.48 -40.35 98.57 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . 60.9 -109.24 2.28 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 9.5 mp -72.68 -175.23 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.602 0.239 . . . . 0.0 110.538 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 7.6 p -43.38 110.2 0.89 Allowed Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.678 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -75.27 148.28 34.04 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.677 2.251 . . . . 0.0 112.104 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.64 115.13 27.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.369 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . 89.0 160.16 36.15 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.95 -2.23 2.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.802 0.334 . . . . 0.0 110.576 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 31.5 mtp 51.77 23.71 2.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.424 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -60.72 -41.19 94.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.511 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -59.95 -39.6 86.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.482 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . 0.457 ' N ' ' CD1' ' C' ' 4' ' ' ILE . 1.7 mp -60.35 -47.13 93.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.685 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -66.22 -42.5 88.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.518 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 35.6 tptt -65.54 -43.45 89.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.585 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.05 -43.3 99.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.692 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . 0.545 ' O ' ' N ' ' C' ' 12' ' ' LEU . . . -61.97 -44.4 96.82 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.499 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 75.1 t -67.05 -41.24 86.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.013 0.435 . . . . 0.0 110.656 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -62.82 -44.17 96.85 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.09 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -91.5 -43.05 9.92 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.122 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' C' ' 8' ' ' ALA . 39.2 mt -108.63 159.58 16.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.372 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 58.5 p -102.64 168.2 9.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.394 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.13 -36.62 80.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.388 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -59.83 -42.82 94.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.529 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . 0.454 ' OE1' ' CE ' ' C' ' 107' ' ' MET . 99.5 mm-40 -66.43 -40.5 89.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.759 0.314 . . . . 0.0 110.769 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -62.82 -44.49 96.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.581 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -64.61 -41.16 96.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.671 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -61.34 -40.58 94.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.804 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -61.74 -45.7 92.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.057 0.456 . . . . 0.0 110.431 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -47.38 73.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.424 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.17 93.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.883 0.373 . . . . 0.0 110.812 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.81 -26.03 67.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.738 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . 0.496 ' CE2' ' CG2' ' C' ' 28' ' ' VAL . 91.5 t80 -53.28 -37.35 62.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.352 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -58.18 -40.54 81.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.28 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 48.3 mm -68.44 -42.85 84.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.521 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -65.71 -25.52 67.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.728 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . 0.496 ' CG2' ' CE2' ' C' ' 24' ' ' PHE . 79.6 t -70.93 -22.7 23.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.538 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . 0.44 ' O ' ' OE2' ' C' ' 40' ' ' GLU . 57.5 tp -61.01 124.81 21.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.461 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.15 -11.68 65.56 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.95 122.63 24.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.888 0.375 . . . . 0.0 110.424 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.83 -40.61 97.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.12 -1.92 57.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.58 4.3 90.41 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 67.3 m -122.16 155.48 35.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.845 0.355 . . . . 0.0 110.387 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 71.0 mt -60.58 124.99 15.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.584 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 1.4 m -126.63 -164.11 1.3 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.381 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 97.9 m -61.45 -42.72 99.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.564 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -61.23 -46.0 92.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . 0.44 ' OE2' ' O ' ' C' ' 29' ' ' LEU . 76.2 mm-40 -68.61 -44.31 74.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.943 0.401 . . . . 0.0 110.987 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.19 -26.83 68.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.415 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . 0.459 ' C ' ' NH1' ' C' ' 46' ' ' ARG . . . -58.1 -36.61 82.59 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -59.89 -41.19 91.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.389 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.7 -41.53 92.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.392 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 21.3 mmt -62.24 -39.93 94.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.714 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . 0.459 ' NH1' ' C ' ' C' ' 42' ' ' GLY . 84.5 mtt85 -61.18 -40.13 92.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.225 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 32.1 ttp -62.02 -39.98 94.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.97 0.414 . . . . 0.0 110.677 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.5 mt -73.82 -6.0 44.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.564 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.8 15.45 65.48 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -107.42 135.11 49.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.723 0.297 . . . . 0.0 110.448 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -133.05 61.23 54.68 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.704 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -74.15 164.86 33.31 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.965 2.443 . . . . 0.0 112.194 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 75.2 p -64.39 147.71 96.95 Favored Pre-proline 0 N--CA 1.448 -0.552 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.563 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.71 -31.51 39.75 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.467 2.111 . . . . 0.0 112.28 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 58.5 mp0 -63.31 -44.01 96.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.629 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -66.19 -39.95 90.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.413 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.23 -40.53 97.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.894 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.57 -40.86 98.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.516 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -61.3 -42.73 99.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.327 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 21.3 mmt -63.68 -40.92 98.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.697 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -60.86 -37.33 76.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.278 0.561 . . . . 0.0 110.016 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -65.39 -43.28 91.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.944 0.402 . . . . 0.0 110.049 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -72.07 -40.4 68.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.359 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.98 -30.97 46.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.436 -178.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.462 ' OD2' ' CA ' ' C' ' 70' ' ' GLY . 99.3 m-20 -56.6 113.99 1.85 Allowed 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.275 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -66.88 -43.01 84.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.699 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 59.8 p30 -94.95 -0.25 54.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.762 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.13 24.97 74.66 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 99.5 p -65.09 -16.11 63.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.758 0.313 . . . . 0.0 110.59 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . 0.462 ' CA ' ' OD2' ' C' ' 65' ' ' ASP . . . 92.21 -6.51 78.54 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 66.5 p -132.07 162.3 31.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.765 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -101.92 109.08 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.571 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . 0.416 ' CG ' ' N ' ' C' ' 74' ' ' PHE . 18.8 t70 -78.27 170.02 17.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.572 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . 0.416 ' N ' ' CG ' ' C' ' 73' ' ' ASP . 0.0 OUTLIER -57.12 -47.03 82.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.46 -179.788 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.53 -42.69 97.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.694 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.76 -41.79 91.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.829 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -63.1 -45.34 92.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.332 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 5.1 tp -63.04 -37.27 86.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.431 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.83 -44.68 98.14 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.426 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 81.5 mmm -63.93 -41.49 97.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.853 0.359 . . . . 0.0 111.367 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 81' ' ' MET . . . . . 0.444 ' O ' ' SG ' ' C' ' 84' ' ' 4J4 . 31.3 ttm -61.37 -49.93 74.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.704 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 18.4 m -71.34 -38.35 68.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.758 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 68.6 ttp85 -61.53 -40.81 96.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.247 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 84' ' ' 4J4 . . . . . 0.577 ' SG ' ' N ' ' C' ' 85' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 85' ' ' MET . . . . . 0.577 ' N ' ' SG ' ' C' ' 84' ' ' 4J4 . 24.2 mtt -62.25 -42.45 99.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -62.93 -46.16 89.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.929 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -65.3 -40.23 93.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.399 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -61.14 -36.01 78.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.738 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 75.3 m -57.78 -28.28 63.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.555 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -58.93 -22.06 59.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.297 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 91' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -100.18 129.6 46.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.742 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 3.5 tt -161.88 -21.44 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.94 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -53.57 131.62 38.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.598 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 39.41 -117.87 0.25 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.472 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -105.69 129.81 53.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.55 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.81 -131.32 2.91 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -123.81 114.11 19.45 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.729 0.299 . . . . 0.0 110.252 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -114.54 145.78 41.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.903 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 41.2 t -66.2 -45.93 88.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.911 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 71.29 -53.56 0.68 Allowed 'General case' 0 C--N 1.331 -0.224 0 O-C-N 123.29 0.369 . . . . 0.0 110.928 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 97.2 mt -87.93 128.24 40.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.747 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 102' ' ' SER . . . . . 0.44 ' OG ' ' OD2' ' C' ' 104' ' ' ASP . 46.8 t -79.57 145.85 32.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.12 0.486 . . . . 0.0 110.812 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.96 -40.45 95.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.73 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 104' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' C' ' 105' ' ' ALA . 2.0 p30 -60.01 -41.18 91.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.694 -179.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 105' ' ' ALA . . . . . 0.555 ' N ' ' OD1' ' C' ' 104' ' ' ASP . . . -62.22 -38.62 89.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.459 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 87.8 mtp -61.41 -44.46 97.1 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.588 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 107' ' ' MET . . . . . 0.454 ' CE ' ' OE1' ' C' ' 16' ' ' GLN . 76.0 mtm -65.03 -40.82 95.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.867 0.365 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -61.72 -45.52 93.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.985 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.54 91.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 5.4 mp -62.31 -43.71 98.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.44 -20.35 64.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.806 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . 67.66 36.66 88.15 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -69.39 -6.84 32.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.736 0.303 . . . . 0.0 110.595 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 91.2 mtm-85 55.67 39.14 30.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.393 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' C' ' 116' ' ' LYS . . . 67.07 27.73 8.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.499 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 116' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' C' ' 115' ' ' ALA . 4.8 mtmt 46.49 -173.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.59 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -89.54 54.97 3.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.529 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 41.2 t -58.96 -37.46 76.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.247 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 46.2 tp -57.16 -38.63 73.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.017 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 43.8 85.08 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.684 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 1.5 mt -60.45 -29.75 69.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.724 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -59.22 124.86 21.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.364 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -176.39 -50.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.568 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 57.3 p-80 -156.78 161.05 39.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.498 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 60.3 tp -132.26 130.29 40.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.629 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.529 179.302 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' -13' ' ' HIS . . . . . 0.553 ' HD1' ' H ' ' C' ' -12' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' -12' ' ' HIS . . . . . 0.553 ' H ' ' HD1' ' C' ' -13' ' ' HIS . 43.4 p-80 -114.94 0.3 13.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.631 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' -11' ' ' HIS . . . . . 0.523 ' O ' ' ND1' ' C' ' -11' ' ' HIS . 56.7 t-80 -81.47 10.29 6.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.558 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -62.58 -39.45 93.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.62 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -110.2 168.77 9.19 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.498 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -61.98 -38.88 90.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.534 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -123.88 19.11 7.44 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . 66.0 -147.8 50.48 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 58.6 tp -87.94 118.22 27.33 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.057 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 57.8 t -137.07 95.38 11.97 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.597 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.18 146.68 48.25 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.421 2.081 . . . . 0.0 111.986 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 16.7 mtt-85 -39.33 131.7 1.55 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.697 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . -137.17 -158.58 7.98 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.9 -69.82 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.745 0.307 . . . . 0.0 110.591 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.8 mmt -132.04 54.51 1.93 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.651 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -62.52 -37.96 88.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.774 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.78 -43.36 94.44 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.761 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.04 -40.99 91.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.308 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -57.99 -48.26 80.55 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.646 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -65.61 -41.42 92.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.001 0.429 . . . . 0.0 110.895 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.52 -41.64 97.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.697 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.98 -42.61 98.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.63 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' C' ' 12' ' ' LEU . 60.4 t -62.87 -39.14 83.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.719 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -58.39 -42.64 87.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.313 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.92 -39.73 19.44 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.579 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' C' ' 9' ' ' VAL . 94.2 mt -79.01 140.26 38.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.544 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 70.3 p -109.06 169.3 8.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.4 -39.28 90.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.326 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.41 -46.83 88.61 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.182 0.515 . . . . 0.0 110.673 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -64.48 -40.31 95.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.246 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -62.39 -39.07 92.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.083 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -59.09 -43.4 91.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.403 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.79 -45.62 93.7 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.215 0.531 . . . . 0.0 110.495 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -66.33 -35.6 80.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.599 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -58.06 -46.73 84.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.53 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.85 -43.86 97.99 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.277 0.561 . . . . 0.0 110.532 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.23 -40.02 94.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.418 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -59.36 -45.11 92.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.732 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -58.25 -42.65 86.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.938 0.399 . . . . 0.0 110.267 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.8 mt -67.4 -38.62 81.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.632 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -56.72 -40.03 74.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.604 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 27.6 m -83.84 28.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.583 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.84 120.88 5.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.842 0.353 . . . . 0.0 110.539 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.59 -8.21 74.44 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -115.05 97.93 6.5 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.015 0.436 . . . . 0.0 110.46 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -64.91 -35.74 82.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.562 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -63.0 -26.39 68.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.648 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.16 -7.26 69.36 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 86.9 p -77.48 162.83 26.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.798 0.332 . . . . 0.0 110.513 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 35.0 pt -134.95 144.12 35.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.75 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 4.4 t -132.24 -164.63 1.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.266 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 63.0 p -64.0 -37.01 85.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.491 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -62.23 -47.3 85.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.863 0.363 . . . . 0.0 110.83 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -43.91 88.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.999 0.428 . . . . 0.0 110.314 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . 0.463 ' O ' ' CG ' ' C' ' 45' ' ' MET . 77.4 mt -62.22 -39.51 93.01 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.387 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.75 -39.38 97.36 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.79 -53.4 27.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.689 0.28 . . . . 0.0 111.565 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 11.7 p -67.73 -32.31 56.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.385 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' MET . . . . . 0.463 ' CG ' ' O ' ' C' ' 41' ' ' LEU . 7.2 mmt -60.89 -45.95 92.57 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.779 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -63.06 -40.9 99.08 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.3 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 16.3 tmm? -63.17 -40.62 98.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.768 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 20.5 mt -64.63 -19.15 65.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.681 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 100.11 8.18 51.1 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . 0.436 ' O ' ' O ' ' C' ' 45' ' ' MET . 5.0 pt20 -123.07 139.78 53.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.391 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . 0.403 ' O ' ' OD1' ' C' ' 51' ' ' ASN . 33.4 t-20 -131.7 75.03 76.98 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.816 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -72.15 154.95 57.1 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 122.568 2.179 . . . . 0.0 112.344 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 22.5 p -61.88 136.22 94.89 Favored Pre-proline 0 C--N 1.323 -0.564 0 C-N-CA 119.811 -0.756 . . . . 0.0 111.332 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.83 -38.75 78.66 Favored 'Trans proline' 0 N--CA 1.5 1.885 0 C-N-CA 121.942 1.761 . . . . 0.0 112.479 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -62.12 -43.33 99.07 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.567 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.09 -39.37 93.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 84.4 mt -61.8 -42.74 99.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.717 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -65.0 -40.8 95.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.457 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -62.7 -43.82 97.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.241 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 28.3 ttt -62.1 -44.04 97.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.548 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 88.2 mt -61.37 -43.92 97.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.555 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -65.14 -42.13 94.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.971 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.64 -41.8 98.2 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.262 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 19.7 m -88.27 7.89 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.476 ' OD2' ' N ' ' C' ' 70' ' ' GLY . 29.9 t0 -75.43 125.04 28.21 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.371 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -90.77 -46.81 8.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.149 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 56.2 p-10 -91.87 -1.25 57.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.98 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.06 12.51 62.9 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 87.9 p -66.51 -26.53 67.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.938 0.399 . . . . 0.0 111.047 -179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . 0.476 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 84.57 5.3 86.92 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 27.2 m -129.85 141.93 50.75 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.639 0.257 . . . . 0.0 110.475 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 41.3 t -81.35 117.4 27.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.156 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -93.9 178.19 5.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.523 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -58.54 -48.77 79.77 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.559 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.87 -44.16 93.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.997 0.427 . . . . 0.0 110.544 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.88 -37.65 87.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.473 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -59.4 -45.67 90.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.4 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 99.0 mt -60.88 -39.96 91.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.131 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.29 -42.43 95.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.756 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 48.8 tpp -57.25 -48.7 78.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.305 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 14.8 mmt -65.21 -39.35 92.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.844 0.354 . . . . 0.0 110.968 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.48 -44.68 98.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.721 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.79 -40.34 94.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.827 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 85' ' ' MET . . . . . 0.487 ' O ' ' OD1' ' C' ' 88' ' ' ASP . 65.4 mtt -63.91 -39.68 94.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.827 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . 0.438 ' O ' ' OG ' ' C' ' 89' ' ' SER . 84.4 tttt -70.9 -42.17 70.31 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.511 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.08 -43.96 70.06 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.972 0.415 . . . . 0.0 111.589 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' C' ' 85' ' ' MET . 52.2 p30 -75.23 -1.39 23.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.473 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 89' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' C' ' 86' ' ' LYS . 59.7 p -66.88 -25.35 66.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.335 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' C' ' 91' ' ' ASN . 13.4 mm-40 -96.28 -45.93 6.63 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 91' ' ' ASN . . . . . 0.42 ' O ' ' O ' ' C' ' 90' ' ' GLU . 1.7 t30 54.0 107.78 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.907 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 1.8 tp -68.03 -169.45 0.13 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.437 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -98.99 4.87 47.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.76 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -100.82 123.79 45.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.605 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -109.16 140.28 42.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.518 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -158.55 -168.87 21.33 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -73.37 72.61 1.33 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.008 0.432 . . . . 0.0 110.218 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -99.55 -81.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.611 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . 0.57 ' C ' ' H ' ' C' ' 101' ' ' ILE . 10.9 m -136.78 -63.92 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.667 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 100' ' ' ARG . . . . . 0.52 ' H ' ' CG2' ' C' ' 99' ' ' VAL . 47.9 ttp85 70.57 -30.77 0.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.721 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 101' ' ' ILE . . . . . 0.57 ' H ' ' C ' ' C' ' 99' ' ' VAL . 18.1 tt -83.76 139.98 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.483 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 52.2 m -92.39 155.8 17.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.77 97.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.861 0.362 . . . . 0.0 110.625 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -63.0 -41.32 99.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.0 0.429 . . . . 0.0 110.524 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.88 -39.32 94.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.522 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 15.5 tpt -59.73 -44.29 93.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.216 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 54.6 ttp -61.89 -46.02 91.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.336 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . 0.55 ' O ' ' N ' ' C' ' 112' ' ' GLY . 77.8 mt-30 -64.21 -39.61 94.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.461 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.27 -41.6 97.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.583 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 10.9 mt -69.48 -47.66 63.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.661 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 4.2 mp -109.29 -52.42 2.77 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.901 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 112' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . 64.46 17.77 62.5 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -85.34 160.32 19.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.771 0.319 . . . . 0.0 110.839 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -65.78 139.26 58.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.297 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.17 65.91 0.84 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.609 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 116' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' C' ' 118' ' ' SER . 11.7 tptt -135.51 -15.53 1.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.701 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -67.5 65.42 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.388 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 118' ' ' SER . . . . . 0.443 ' N ' ' O ' ' C' ' 116' ' ' LYS . 75.3 m -62.8 -41.23 99.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.668 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 2.0 pp -68.57 -28.2 66.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.482 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' C' ' 122' ' ' ARG . 65.8 t0 55.42 76.65 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.634 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 3.4 mp 60.79 -80.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.522 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' C' ' 120' ' ' ASP . 3.7 tpt180 46.84 -119.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.481 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . 69.7 69.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.036 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -128.46 118.24 22.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.632 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 93.6 mt 42.58 80.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.73 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.121 -0.943 . . . . 0.0 110.497 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' -13' ' ' HIS . . . . . 0.4 ' ND1' ' H ' ' C' ' -13' ' ' HIS . 41.8 p-80 . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 60.5 m170 53.7 49.07 20.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.624 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -56.22 131.11 46.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.449 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -165.07 -81.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.438 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -157.1 106.84 2.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.276 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' -8' ' ' HIS . . . . . 0.555 ' O ' ' ND1' ' C' ' -8' ' ' HIS . 58.9 t-80 41.24 33.66 0.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.553 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . 121.99 -166.38 14.69 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . -87.96 -86.02 1.18 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' -5' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' C' ' -5' ' ' LEU . 10.9 mp -70.72 139.03 51.04 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 10.7 p -120.75 128.31 25.84 Favored Pre-proline 0 CA--C 1.54 0.575 0 O-C-N 123.47 0.481 . . . . 0.0 110.5 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -51.13 140.4 40.97 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.525 2.15 . . . . 0.0 112.075 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 68.39 14.78 9.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.49 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' -1' ' ' GLY . . . . . 0.551 ' C ' ' H ' ' C' ' 1' ' ' MET . . . -100.45 47.1 1.28 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.54 27.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 110.612 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.551 ' H ' ' C ' ' C' ' -1' ' ' GLY . 23.5 mmt -64.79 -20.24 66.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.22 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' C' ' 3' ' ' ASP . 45.2 p-10 -53.66 -34.51 58.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.701 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . 0.541 ' N ' ' OD1' ' C' ' 2' ' ' ASP . 34.4 t70 -63.7 -41.42 98.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.024 0.44 . . . . 0.0 110.392 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.94 -41.74 93.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.654 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -56.25 -48.45 76.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.795 -179.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -64.91 -41.54 95.49 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.904 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.54 -40.5 94.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.492 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.98 94.8 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.293 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.463 ' O ' ' O ' ' C' ' 12' ' ' LEU . 54.0 t -63.45 -38.53 82.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.05 0.453 . . . . 0.0 110.906 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -59.46 -40.23 86.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.731 -179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.37 -40.08 11.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.773 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' C' ' 9' ' ' VAL . 69.2 mt -93.77 140.51 29.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.531 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 65.9 p -90.53 177.66 6.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.688 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -61.52 -36.0 79.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.239 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -59.6 -42.59 92.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.801 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -64.11 -40.41 96.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.935 0.398 . . . . 0.0 110.543 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -61.8 -43.37 98.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.287 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -62.26 -45.54 92.82 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.568 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -62.2 -42.48 99.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.525 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.503 ' CD1' ' C ' ' C' ' 20' ' ' PHE . 0.0 OUTLIER -56.42 -50.54 71.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.569 -179.696 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -63.08 -45.96 89.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.777 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.81 97.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.41 98.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.941 0.4 . . . . 0.0 110.71 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -58.68 -44.42 90.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.249 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -58.65 -41.31 85.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.38 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 1.5 mp -71.43 -39.54 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.403 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . 0.572 ' CE1' ' HAC' ' C' ' 84' ' ' 4J4 . 3.0 m-85 -68.25 -18.72 64.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 53.6 t -71.67 -23.69 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.674 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . 0.425 ' CD2' ' N ' ' C' ' 29' ' ' LEU . 4.3 mm? -60.98 134.41 57.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.881 0.372 . . . . 0.0 110.733 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.37 -5.4 84.77 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.06 101.81 8.79 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.779 0.323 . . . . 0.0 110.471 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -64.85 -41.06 96.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.469 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -64.85 -23.42 67.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.393 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.44 -0.88 83.69 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 97.4 p -105.41 166.4 10.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.734 0.302 . . . . 0.0 110.684 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 67.3 mt -92.81 121.42 43.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 16.7 m -117.46 -171.83 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.664 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 74.9 p -64.52 -38.65 91.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.53 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -64.95 -39.85 94.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.757 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -61.94 -42.91 99.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.801 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 3.0 mt -63.79 -33.74 76.35 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.196 0.522 . . . . 0.0 110.898 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.37 -29.74 63.74 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -59.54 -42.84 93.26 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.373 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 66.8 t -63.21 -47.81 90.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.87 0.367 . . . . 0.0 110.482 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 6.2 mtm -67.65 -39.29 84.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.579 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 79.9 mtt-85 -61.46 -44.66 96.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.719 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 53.3 ttp -63.14 -39.74 95.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.444 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 tp -59.03 -26.38 64.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.336 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.43 33.46 4.82 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.289 -0.725 . . . . 0.0 111.289 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -113.63 179.45 3.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.648 0.261 . . . . 0.0 110.694 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.12 80.89 57.87 Favored Pre-proline 0 CA--C 1.531 0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.98 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -72.19 154.37 56.87 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 122.838 2.359 . . . . 0.0 112.239 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 28.4 p -123.58 150.6 61.79 Favored Pre-proline 0 N--CA 1.448 -0.542 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.782 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -49.14 -44.99 31.33 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 122.298 1.999 . . . . 0.0 112.259 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -63.69 -43.56 96.28 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.982 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -64.77 -41.89 95.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.97 0.414 . . . . 0.0 110.915 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.98 -38.93 89.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.758 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -60.88 -42.62 98.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.547 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -65.7 -41.72 92.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.593 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 28.4 ttt -62.28 -42.0 98.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.243 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 mm -59.68 -43.83 92.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.79 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.46 -41.75 90.42 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.434 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -72.52 -43.29 63.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.919 0.39 . . . . 0.0 110.525 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.44 -39.93 85.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.058 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 58.8 t0 -50.47 146.95 4.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.451 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . 0.537 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 12.7 mm-40 -91.41 -43.37 9.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.988 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -102.22 -2.04 30.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.664 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.33 20.65 69.66 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 69' ' ' SER . . . . . 0.491 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 84.2 p -73.02 -12.34 60.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.736 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.47 -19.33 51.16 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 77.5 p -137.52 160.95 37.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.666 0.269 . . . . 0.0 110.437 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 33.5 m -120.95 112.66 36.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.396 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -75.45 178.0 6.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.722 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -58.58 -49.34 77.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.662 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -66.22 -41.31 90.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.494 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.77 -39.23 90.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.708 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -59.88 -46.68 88.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.381 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.99 -47.02 88.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 0.0 111.096 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.48 -41.86 94.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.479 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 66.7 ttp -59.33 -44.09 92.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.47 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 2.2 tpt -60.6 -42.71 97.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.959 0.409 . . . . 0.0 110.181 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 78.6 t -65.34 -41.2 90.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.623 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -59.49 -41.26 89.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.458 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 84' ' ' 4J4 . . . . . 0.572 ' HAC' ' CE1' ' C' ' 27' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -42.82 95.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.809 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -62.31 -43.94 97.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.064 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -64.52 -43.53 93.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.665 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -60.85 -46.46 90.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.695 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 74.9 m -68.11 -41.91 81.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -62.33 -41.82 98.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.408 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 91' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' C' ' 97' ' ' ARG . 9.8 t-20 54.9 54.42 9.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.876 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 92' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' C' ' 93' ' ' TYR . 77.7 mt -59.39 134.12 56.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.457 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 93' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' C' ' 92' ' ' LEU . 78.2 m-85 35.45 -131.46 0.08 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.673 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -96.38 5.05 51.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.618 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.36 112.92 19.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.949 0.404 . . . . 0.0 110.373 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 96' ' ' GLY . . . . . 0.56 ' O ' ' N ' ' C' ' 98' ' ' ARG . . . 99.82 -23.17 37.11 Favored Glycine 0 C--O 1.228 -0.252 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . 0.511 ' O ' ' ND2' ' C' ' 91' ' ' ASN . 0.2 OUTLIER 32.85 -88.35 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.814 0.361 . . . . 0.0 110.99 179.561 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 98' ' ' ARG . . . . . 0.56 ' N ' ' O ' ' C' ' 96' ' ' GLY . 8.0 ptm180 -131.91 160.18 36.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.625 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 14.2 p -74.09 144.03 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.812 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -96.61 -59.92 1.72 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.744 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 79.0 mt -118.27 124.67 73.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.407 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 44.3 m -93.11 143.9 25.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.861 0.362 . . . . 0.0 110.438 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.04 -35.05 75.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.354 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -58.84 -36.94 75.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.263 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.3 93.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.613 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 2.6 mmm -63.97 -40.31 96.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.521 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 13.1 ttm -60.99 -49.04 79.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.843 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -61.04 -41.98 97.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.688 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.63 -43.79 92.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.935 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 85.7 mt -68.05 -44.26 76.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.203 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -75.06 -49.29 20.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.869 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 112' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' C' ' 113' ' ' ALA . . . 55.26 -124.25 32.41 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' C' ' 112' ' ' GLY . . . 76.36 160.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.721 0.296 . . . . 0.0 110.587 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -92.74 -3.22 55.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.002 0.43 . . . . 0.0 110.14 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.62 163.49 34.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.735 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 116' ' ' LYS . . . . . 0.46 ' C ' ' H ' ' C' ' 118' ' ' SER . 64.3 pttt -138.63 149.47 45.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.552 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 47.63 14.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.666 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 118' ' ' SER . . . . . 0.46 ' H ' ' C ' ' C' ' 116' ' ' LYS . 87.8 p -86.18 -9.18 57.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.651 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.63 10.71 17.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -66.55 123.55 20.37 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.474 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 2.3 tp -128.26 -35.02 2.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.49 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 10.1 mmt-85 -102.62 104.79 15.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.769 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -157.17 165.74 35.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.8 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -47.76 139.51 7.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.427 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 89.6 mt -75.52 148.67 38.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.697 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 21.7 pttp . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.761 -179.93 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' -12' ' ' HIS . . . . . 0.462 ' O ' ' O ' ' C' ' -11' ' ' HIS . 56.5 t-80 -143.02 98.85 3.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.599 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' -11' ' ' HIS . . . . . 0.462 ' O ' ' O ' ' C' ' -12' ' ' HIS . 11.8 m80 45.78 102.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.977 0.417 . . . . 0.0 111.106 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -60.92 -40.26 92.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.375 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -160.45 163.68 32.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -96.75 116.64 29.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.186 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -166.65 -119.72 0.49 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . 71.09 40.06 62.32 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' -5' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' C' ' -4' ' ' VAL . 86.5 mt -60.17 -41.59 93.15 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.88 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' -4' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' C' ' -5' ' ' LEU . 96.1 t 34.46 67.36 1.29 Allowed Pre-proline 0 N--CA 1.455 -0.209 0 O-C-N 123.525 0.516 . . . . 0.0 110.77 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -75.76 47.83 2.03 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.48 2.12 . . . . 0.0 112.145 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -154.94 134.97 13.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.556 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . -105.68 110.4 3.42 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.42 140.31 2.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.783 0.325 . . . . 0.0 110.474 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 98.4 mtp -66.24 -19.26 65.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.482 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.66 -30.92 69.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.83 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -60.77 -34.68 74.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.064 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 94.0 mt -59.78 -46.89 93.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.256 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -67.1 -37.07 83.29 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.505 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -60.37 -43.7 96.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.209 0.528 . . . . 0.0 110.491 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.11 -37.85 81.62 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.728 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.6 -46.08 90.0 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -74.11 -34.97 39.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.963 0.411 . . . . 0.0 110.606 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -63.67 -40.03 95.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.574 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . 0.433 ' O ' ' O ' ' C' ' 12' ' ' LEU . 22.0 mt-30 -98.64 19.39 14.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.838 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' C' ' 11' ' ' GLN . 2.3 pp -34.15 153.15 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 O-C-N 123.598 0.561 . . . . 0.0 110.433 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.3 p -115.75 165.51 12.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.469 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -61.01 -39.65 90.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.381 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . 0.438 ' O ' ' OE1' ' C' ' 19' ' ' GLU . 53.7 tp10 -61.29 -43.34 99.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.18 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -60.31 -40.5 90.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.007 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -63.53 -36.69 84.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -58.51 -47.52 83.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.09 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . 0.438 ' OE1' ' O ' ' C' ' 15' ' ' GLU . 7.6 mp0 -67.21 -38.58 85.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.627 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -59.59 -48.59 81.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.925 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -61.5 -40.8 95.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.687 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.04 -41.05 99.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.627 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.58 92.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.414 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.4 -37.45 80.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.172 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.75 -41.64 97.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.507 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 38.1 pt -77.71 -28.17 15.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.811 0.338 . . . . 0.0 111.17 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.5 -45.07 76.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.599 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 35.1 m -73.12 -4.12 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.954 0.407 . . . . 0.0 110.676 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 tt -69.09 110.06 4.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.478 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.69 18.83 76.84 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.55 115.31 27.22 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.667 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -68.81 -41.51 78.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -67.68 -30.06 69.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.768 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.33 4.28 88.96 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.53 -178.85 5.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.657 0.265 . . . . 0.0 110.384 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 31.2 mm -75.47 121.15 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 110.173 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 5.5 t -148.65 -165.08 2.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.611 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.4 p -67.34 -37.1 82.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.515 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 67.2 tttm -63.54 -42.71 98.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.591 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -60.97 -44.83 96.79 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.07 0.462 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tt -65.23 -41.61 94.2 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.055 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.26 -38.89 96.95 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -58.57 -44.1 89.63 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.73 -43.96 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.581 0.705 . . . . 0.0 110.134 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' MET . . . . . 0.506 ' SD ' ' OE1' ' C' ' 50' ' ' GLN . 25.6 mmt -66.77 -39.88 88.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -61.8 -45.23 94.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.669 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 6.2 ptt? -71.28 -22.47 61.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.095 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.65 -3.73 39.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.616 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.84 12.15 66.81 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . 0.506 ' OE1' ' SD ' ' C' ' 45' ' ' MET . 85.0 mt-30 -102.1 152.2 21.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.735 0.302 . . . . 0.0 110.418 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -136.17 65.62 58.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.267 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -72.76 153.72 53.78 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.753 2.302 . . . . 0.0 112.651 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 1.4 p -67.89 154.83 93.0 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.603 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.26 -31.27 92.76 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.423 2.082 . . . . 0.0 112.054 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . 0.41 ' CG ' ' N ' ' C' ' 56' ' ' GLU . 8.9 pt-20 -67.02 -38.62 86.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.942 0.401 . . . . 0.0 110.202 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . 0.41 ' N ' ' CG ' ' C' ' 55' ' ' GLU . 99.2 mt-10 -67.14 -37.7 84.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.434 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 84.0 mt -60.92 -42.87 98.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.348 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -67.04 -41.21 86.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.801 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.1 -41.6 96.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.416 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 49.0 tpp -63.26 -41.16 99.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.1 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 4.1 mm -60.59 -46.21 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.815 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -61.18 -43.7 98.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.83 0.348 . . . . 0.0 110.525 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -65.91 -45.19 82.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . 0.434 ' CG1' ' SD ' ' C' ' 80' ' ' MET . 73.3 t -65.14 -39.72 86.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.722 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 52.3 t0 -53.69 139.96 30.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.755 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . 0.535 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 22.5 tp10 -88.03 -42.81 12.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.989 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -101.66 -1.61 32.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.675 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.75 23.22 74.01 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 69' ' ' SER . . . . . 0.531 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 99.9 p -73.44 -10.51 59.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.817 0.341 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.33 -8.56 75.14 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 71' ' ' THR . . . . . 0.443 ' H ' ' HG ' ' C' ' 69' ' ' SER . 69.5 p -135.26 164.04 28.61 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.55 0.214 . . . . 0.0 110.483 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 28.7 t -112.5 116.37 52.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.14 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . 0.523 ' CG ' ' N ' ' C' ' 74' ' ' PHE . 1.0 OUTLIER -73.5 166.64 22.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.356 179.563 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . 0.523 ' N ' ' CG ' ' C' ' 73' ' ' ASP . 16.8 m-85 -56.68 -46.99 80.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.542 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -66.24 -41.16 90.41 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.042 0.448 . . . . 0.0 110.468 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -62.72 -39.91 95.53 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.536 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -64.55 -40.47 95.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.326 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.3 -51.93 65.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.735 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 33.4 m -71.9 -27.7 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.984 0.421 . . . . 0.0 110.723 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 80' ' ' MET . . . . . 0.434 ' SD ' ' CG1' ' C' ' 64' ' ' VAL . 50.5 ttp -60.73 -43.87 97.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.767 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 25.1 ttt -61.1 -42.74 99.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.01 0.433 . . . . 0.0 110.654 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . 0.522 ' O ' ' SD ' ' C' ' 85' ' ' MET . 99.2 t -70.41 -35.9 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.464 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' C' ' 85' ' ' MET . 39.1 ttm180 -58.71 -42.02 87.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.19 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 84' ' ' 4J4 . . . . . 0.486 ' C ' ' O ' ' C' ' 83' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 85' ' ' MET . . . . . 0.626 ' N ' ' SD ' ' C' ' 85' ' ' MET . 0.3 OUTLIER -59.34 -36.16 75.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.321 -179.823 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -60.3 -39.11 85.79 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.117 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -63.27 -41.63 99.04 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.932 0.396 . . . . 0.0 110.193 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.3 -41.77 98.98 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.772 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 90.2 p -67.88 -35.5 78.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.477 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.31 -38.21 86.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.144 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 91' ' ' ASN . . . . . 0.433 ' OD1' ' CD2' ' C' ' 94' ' ' PHE . 8.7 t-20 64.03 64.88 0.72 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.193 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 7.7 tp -57.88 -40.62 80.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.271 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -117.47 135.84 53.63 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.34 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 94' ' ' PHE . . . . . 0.433 ' CD2' ' OD1' ' C' ' 91' ' ' ASN . 0.4 OUTLIER -111.68 2.05 17.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.759 179.785 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -87.93 -39.89 14.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -98.93 12.12 62.41 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 54.96 -110.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.327 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 48.5 mtt-85 -64.97 162.21 17.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.793 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 67.1 t -79.81 96.99 2.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.968 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 100' ' ' ARG . . . . . 0.419 ' NH2' HE21 ' C' ' 50' ' ' GLN . 84.1 mtt85 39.74 -98.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.771 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 tp -111.77 135.61 50.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.49 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 64.6 m -67.86 149.04 50.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.499 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.61 -39.57 88.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.636 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.1 -39.68 90.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.42 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.76 95.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.764 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 60.1 mtp -61.97 -44.53 96.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.803 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 76.9 mtm -64.66 -40.03 94.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.457 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' C' ' 112' ' ' GLY . 11.9 tp-100 -62.51 -42.38 99.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.608 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.69 94.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.49 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 6.0 mp -66.28 -42.57 88.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 98.6 mt -93.42 3.56 55.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.653 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 112' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . -52.06 -76.1 0.19 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -133.06 -117.67 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.691 0.281 . . . . 0.0 110.487 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 71.1 -53.77 0.67 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.466 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . 0.419 ' O ' ' OG ' ' C' ' 118' ' ' SER . . . -164.43 142.7 6.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.688 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -68.0 -26.66 66.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.454 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -93.62 23.66 4.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.705 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 118' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' C' ' 115' ' ' ALA . 70.4 m -57.94 -25.52 61.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.336 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.22 -38.93 88.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.378 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 4.7 t0 74.68 148.25 0.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.588 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 2.4 tp 69.5 171.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.576 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -99.8 122.86 43.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.405 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.45 143.77 42.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.826 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -89.65 -0.97 57.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.888 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 23.5 mt -129.11 152.31 48.84 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.975 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 22.6 tptt . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.4 -179.859 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 73.8 m80 53.27 -118.63 1.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.469 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -130.28 139.79 50.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.619 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -156.87 161.35 39.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.35 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -108.36 149.55 28.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.801 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -64.62 -38.9 92.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.597 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . 60.08 -128.93 47.15 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . -66.63 142.25 41.86 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 9.5 mp -69.02 -34.53 75.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.583 0.23 . . . . 0.0 110.61 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 60.5 t -93.03 112.34 55.63 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.507 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -49.57 112.52 0.7 Allowed 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 122.474 2.116 . . . . 0.0 112.226 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -174.39 88.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.461 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . -111.44 -162.62 17.39 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.77 110.06 22.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.675 0.274 . . . . 0.0 110.52 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 72.4 mtm -88.32 117.92 27.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.032 0.444 . . . . 0.0 110.474 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' C' ' 2' ' ' ASP . 64.1 t0 -61.23 -34.7 75.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.493 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -55.66 -36.47 67.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.418 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 1.9 tp -49.44 -22.24 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.37 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -61.59 -46.89 87.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.382 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -96.9 -24.16 15.99 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.011 0.434 . . . . 0.0 110.637 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.45 -37.96 82.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.472 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.99 -44.79 87.39 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.877 0.37 . . . . 0.0 110.576 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 76.7 t -70.09 -38.3 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.099 0.476 . . . . 0.0 110.461 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -55.86 -32.29 63.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.759 -179.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -66.34 -15.8 63.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.666 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 50.1 mt -103.66 137.34 41.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.834 0.35 . . . . 0.0 110.468 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 44.1 p -95.11 168.41 10.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.584 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -62.27 -39.8 94.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.362 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -63.61 -40.02 95.86 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.227 0.537 . . . . 0.0 110.411 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -62.98 -41.29 99.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.509 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.55 -39.27 93.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -60.12 -40.89 91.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.342 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -63.08 -43.67 97.9 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 121.415 0.626 . . . . 0.0 110.639 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.68 -22.56 64.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.756 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -52.46 -25.53 10.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.497 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.97 80.58 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.394 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.79 95.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.965 0.412 . . . . 0.0 110.581 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -59.23 -46.84 87.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.513 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -59.65 -42.4 92.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.78 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 91.8 mt -60.13 -45.29 96.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.555 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -66.39 -34.82 78.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.608 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 66.3 t -70.87 -24.57 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.46 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.9 124.04 19.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.559 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.83 -3.49 81.11 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.09 118.79 29.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.601 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.19 -41.25 99.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.479 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.31 -26.21 67.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.534 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.75 -4.04 86.56 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.836 -0.905 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 65.6 m -140.78 161.73 37.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.66 0.267 . . . . 0.0 110.67 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.89 119.97 9.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.069 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 5.6 t -138.6 -158.17 0.83 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.613 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 72.9 p -61.37 -36.82 81.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.509 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . 0.675 ' HZ3' ' HZ2' ' C' ' 43' ' ' LYS . 42.9 tttm -63.15 -50.76 69.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.104 0.478 . . . . 0.0 110.722 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -69.99 -40.91 75.02 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.315 0.579 . . . . 0.0 110.531 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 51.8 tp -63.63 -39.68 94.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.731 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.01 -41.58 99.49 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.326 -1.11 . . . . 0.0 110.326 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . 0.675 ' HZ2' ' HZ3' ' C' ' 39' ' ' LYS . 60.2 mttp -59.98 -42.06 93.37 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.697 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 68.7 t -62.96 -42.86 98.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.261 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 14.0 mmt -62.15 -41.78 98.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.955 0.407 . . . . 0.0 110.378 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -62.63 -38.03 88.64 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.498 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 45.8 mtp -62.24 -38.74 90.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.295 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 94.8 mt -75.51 -10.79 59.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.603 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.41 5.32 59.17 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -101.54 141.45 34.39 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -131.58 74.97 77.46 Favored Pre-proline 0 C--O 1.233 0.21 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.977 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -63.16 149.64 90.85 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 123.184 2.589 . . . . 0.0 112.121 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 21.8 p -70.24 152.88 95.56 Favored Pre-proline 0 N--CA 1.449 -0.505 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.761 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -46.86 -40.69 25.3 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 122.316 2.01 . . . . 0.0 112.335 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -67.11 -32.18 73.15 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-O 121.236 0.541 . . . . 0.0 110.288 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -74.13 -35.47 64.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.73 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.73 -47.06 86.97 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.35 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -71.95 -39.52 69.33 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.777 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -63.19 -40.03 96.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.558 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 17.2 tpt -64.05 -41.18 97.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.281 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 4.4 mm -60.6 -44.05 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.758 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -60.0 -45.03 94.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.343 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.65 -45.52 92.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.36 -39.98 87.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.843 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' C' ' 71' ' ' THR . 1.2 m-20 -62.38 113.11 2.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.686 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -88.9 -18.16 28.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.674 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -109.58 -1.29 18.27 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.72 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.87 17.56 73.49 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 69' ' ' SER . . . . . 0.584 ' HG ' ' H ' ' C' ' 71' ' ' THR . 91.5 p -63.4 -21.32 66.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.772 0.32 . . . . 0.0 110.563 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.46 4.39 89.34 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 71' ' ' THR . . . . . 0.584 ' H ' ' HG ' ' C' ' 69' ' ' SER . 81.2 p -130.03 164.71 23.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.791 0.329 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 47.5 t -98.5 107.34 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.609 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.79 163.59 22.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.517 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -59.45 -48.38 81.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.397 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.34 -42.92 99.47 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.625 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -64.61 -39.95 94.63 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.031 0.444 . . . . 0.0 110.449 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -46.01 90.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.696 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 2.2 tp -64.83 -40.29 94.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.112 0.482 . . . . 0.0 110.294 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.05 -38.47 80.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.828 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 3.2 mmm -53.11 -34.41 56.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.792 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.34 -39.64 93.75 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.839 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 85.9 t -82.84 -28.81 8.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.705 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 -84.92 -6.34 59.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.662 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 85' ' ' MET . . . . . 0.549 ' SD ' ' N ' ' C' ' 85' ' ' MET . 4.1 mmt -66.49 -19.31 65.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.73 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -30.72 61.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.551 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -61.38 -21.87 64.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.893 0.377 . . . . 0.0 110.593 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' C' ' 92' ' ' LEU . 54.3 t0 -65.94 -31.39 72.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.452 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 75.4 m -60.16 -47.57 85.37 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.895 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -67.56 -39.5 84.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.357 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 91' ' ' ASN . . . . . 0.455 ' O ' ' O ' ' C' ' 92' ' ' LEU . 54.9 t-20 -87.08 71.25 10.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.639 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 92' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' C' ' 91' ' ' ASN . 26.5 mt 56.07 155.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.014 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 93' ' ' TYR . . . . . 0.519 ' O ' ' CG ' ' C' ' 93' ' ' TYR . 0.8 OUTLIER -96.59 129.13 44.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.086 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -167.32 -23.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.682 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 57.72 36.08 26.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.392 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -86.13 -177.7 49.89 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -101.91 130.46 48.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.593 0.235 . . . . 0.0 110.571 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -118.64 9.01 12.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.738 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 3.2 p -148.62 135.39 13.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.654 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -111.97 -5.75 14.29 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.566 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 2.3 mp -93.92 114.92 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.198 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 85.9 p -71.33 151.56 44.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.124 0.488 . . . . 0.0 110.797 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.11 -38.66 91.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.423 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -58.34 -45.58 87.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.589 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.03 -42.96 99.46 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.38 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 4.9 tpt -67.41 -40.98 85.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.415 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 28.8 mmm -61.97 -42.68 99.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.587 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.08 -42.74 88.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.881 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.15 97.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.24 -41.2 90.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.56 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -75.28 -35.93 61.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 112' ' ' GLY . . . . . 0.525 ' O ' ' N ' ' C' ' 114' ' ' ARG . . . -59.42 -51.59 58.2 Favored Glycine 0 C--O 1.227 -0.322 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' C' ' 112' ' ' GLY . . . 30.42 36.65 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.894 0.378 . . . . 0.0 110.653 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 114' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' C' ' 112' ' ' GLY . 2.1 mtp180 53.22 48.97 20.92 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.495 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' C' ' 112' ' ' GLY . . . -63.74 146.08 54.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.817 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -62.77 -71.81 0.15 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.759 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 43.78 33.58 0.74 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.59 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 68.3 m -62.64 -44.79 95.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.963 0.411 . . . . 0.0 110.502 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 9.2 tp -71.26 -39.84 71.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.324 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . 0.428 ' CG ' ' H ' ' C' ' 121' ' ' LEU . 12.7 t0 56.01 -148.56 0.48 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.452 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . 0.428 ' H ' ' CG ' ' C' ' 120' ' ' ASP . 19.5 tp -104.1 123.17 46.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.325 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -99.13 123.59 43.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.75 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.0 89.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.34 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 124' ' ' HIS . . . . . 0.416 ' O ' ' O ' ' C' ' 125' ' ' LEU . 60.1 m170 -94.57 131.44 40.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.413 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' C' ' 124' ' ' HIS . 2.2 mp 57.34 156.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 24.3 pttm . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.885 -179.839 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 32.1 p80 . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -62.72 -39.45 94.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.537 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -105.44 -179.39 3.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.337 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' -10' ' ' HIS . . . . . 0.425 ' HD1' ' CE1' ' C' ' -9' ' ' HIS . 61.9 t-80 -60.27 -45.44 93.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.462 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' -9' ' ' HIS . . . . . 0.425 ' CE1' ' HD1' ' C' ' -10' ' ' HIS . 99.1 m-70 -107.48 174.65 5.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.464 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -60.55 -38.94 86.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.394 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . 115.31 -166.24 12.19 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . -58.61 -100.26 0.01 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 30.1 mt 43.84 -166.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 111.065 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.37 130.29 13.17 Favored Pre-proline 0 N--CA 1.446 -0.636 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.469 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -73.41 162.19 40.77 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.48 2.12 . . . . 0.0 112.527 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 56.62 -169.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.443 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . -165.04 -101.06 0.15 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 39.7 t -158.76 8.02 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.973 0.416 . . . . 0.0 110.634 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ttm -59.08 -41.86 89.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.461 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -58.55 -38.34 77.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.422 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -60.52 -41.66 94.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.432 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 27.2 mt -62.38 -42.48 95.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -65.9 -44.23 85.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.039 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -62.32 -44.39 96.6 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.114 0.483 . . . . 0.0 110.59 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.5 -39.55 88.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.376 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' C' ' 12' ' ' LEU . . . -61.0 -47.57 85.86 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.363 -179.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 26.0 m -73.67 -35.91 45.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.727 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -67.47 -40.76 85.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -92.77 -38.4 11.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.019 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' C' ' 8' ' ' ALA . 11.3 mt -112.61 162.66 15.43 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.061 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 65.8 p -117.58 179.95 3.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.569 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -58.26 -31.93 67.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.202 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -59.49 -43.59 93.29 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.431 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 -66.14 -39.69 90.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.923 0.392 . . . . 0.0 110.598 178.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 tmtp? -58.12 -48.34 80.5 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.024 0.44 . . . . 0.0 110.476 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.56 -39.75 94.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.713 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -62.1 -39.71 93.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.165 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -61.37 -41.82 97.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.242 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -62.64 -42.32 99.53 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.218 0.532 . . . . 0.0 110.336 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.05 96.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.478 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.96 -38.58 86.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.274 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . 0.423 ' CD2' ' CE2' ' C' ' 74' ' ' PHE . 85.1 t80 -58.48 -48.73 79.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.508 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -59.91 -41.97 92.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.244 0.545 . . . . 0.0 110.382 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 87.5 mt -71.4 -40.61 73.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.063 0.459 . . . . 0.0 110.648 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -67.7 -42.5 81.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.157 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 p -73.88 -22.38 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.329 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.77 129.87 43.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.453 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.8 -2.14 76.03 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.54 106.32 18.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.878 0.37 . . . . 0.0 110.36 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.31 -24.5 65.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.698 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.69 -24.27 67.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.53 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.24 7.18 83.4 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 98.2 p -148.02 161.43 41.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.328 . . . . 0.0 110.55 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 97.0 mt -70.92 130.08 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.475 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' SER . . . . . 0.414 ' N ' ' OE1' ' C' ' 40' ' ' GLU . 74.3 p -141.58 -168.17 2.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.769 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 93.5 m -59.57 -37.01 77.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.411 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -57.91 -43.07 85.98 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.489 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . 0.42 ' CD ' ' N ' ' C' ' 40' ' ' GLU . 22.6 mp0 -64.08 -43.89 94.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.97 0.414 . . . . 0.0 110.804 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 tp -62.98 -44.06 97.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.043 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.74 -37.75 95.16 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -56.85 -48.74 77.36 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.646 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.29 -44.22 98.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.094 0.473 . . . . 0.0 110.235 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 25.1 mmt -63.33 -38.14 89.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.398 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -58.64 -42.86 89.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.893 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -63.12 -37.8 88.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.259 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.18 -7.69 9.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.385 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.2 3.01 70.24 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -105.99 136.82 44.98 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.363 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . 0.424 ' N ' ' OD1' ' C' ' 51' ' ' ASN . 14.0 p-10 -133.1 64.89 72.13 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.71 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -71.93 161.19 45.63 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.79 2.327 . . . . 0.0 111.985 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 64.2 p -60.43 141.76 91.26 Favored Pre-proline 0 C--N 1.326 -0.439 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.057 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.11 -18.23 30.96 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 122.675 2.25 . . . . 0.0 112.383 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -59.1 -46.39 88.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.123 -178.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -72.02 -37.18 69.81 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.76 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.64 -41.4 88.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.892 0.377 . . . . 0.0 110.704 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -64.17 -39.98 95.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.537 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.98 -41.83 97.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.167 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 60' ' ' MET . . . . . 0.415 ' O ' ' CG2' ' C' ' 64' ' ' VAL . 3.9 mmt -62.21 -42.2 99.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.543 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 23.8 mm -61.86 -44.95 99.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.663 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.29 -47.93 83.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.536 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -66.3 -40.94 90.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.324 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . 0.415 ' CG2' ' O ' ' C' ' 60' ' ' MET . 79.2 t -64.24 -39.54 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.582 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.538 ' OD2' ' N ' ' C' ' 69' ' ' SER . 63.8 t0 -54.43 130.53 39.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.701 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . 0.45 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 20.0 mp0 -68.39 -41.16 80.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.564 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . 0.533 ' CG ' ' HG ' ' C' ' 69' ' ' SER . 13.3 p30 -93.38 -1.17 56.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.305 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.57 23.15 70.29 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 69' ' ' SER . . . . . 0.538 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 50.1 m -66.79 -21.85 66.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.777 0.322 . . . . 0.0 110.479 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.81 -5.26 72.82 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 80.6 p -128.78 157.46 41.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.701 0.286 . . . . 0.0 110.423 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -104.51 110.86 31.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.215 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -83.94 176.44 8.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.586 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . 0.423 ' CE2' ' CD2' ' C' ' 24' ' ' PHE . 0.8 OUTLIER -57.15 -49.05 77.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.374 -179.333 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.07 -44.46 92.32 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.687 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -61.23 -39.84 91.78 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.377 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -60.81 -45.38 94.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 27.6 tp -59.83 -50.42 73.88 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.97 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 34.5 m -72.6 -38.3 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.621 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -61.75 -46.89 87.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 23.6 ttt -63.88 -39.32 93.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.398 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 64.7 t -60.9 -46.18 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.808 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -63.01 -40.03 96.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.508 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 84' ' ' 4J4 . . . . . 0.466 ' OAF' ' CAR' ' C' ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.6 mmm -62.16 -40.08 94.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.587 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.13 -44.69 96.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.275 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -67.19 -43.62 81.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.554 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -61.74 -40.81 96.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.458 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 71.3 m -61.29 -41.92 97.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.807 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' C' ' 91' ' ' ASN . 5.8 tp10 -62.5 -40.75 97.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.22 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 91' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' C' ' 93' ' ' TYR . 15.0 t-20 43.33 94.71 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.691 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 92' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' C' ' 94' ' ' PHE . 1.1 mm? -51.71 92.9 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.449 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 93' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' C' ' 91' ' ' ASN . 1.0 OUTLIER 43.01 -89.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.614 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 94' ' ' PHE . . . . . 0.535 ' N ' ' O ' ' C' ' 92' ' ' LEU . 19.3 p90 -132.5 -17.82 2.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.411 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -58.69 -12.71 4.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.909 0.385 . . . . 0.0 110.586 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -103.52 22.48 35.79 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -80.85 40.86 0.54 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.81 0.338 . . . . 0.0 110.575 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -67.38 -40.28 85.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.014 0.435 . . . . 0.0 110.602 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 29.6 m -129.14 -47.92 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.775 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 21.3 ttp85 62.2 35.62 15.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.528 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 5.1 mm -123.43 130.51 74.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 102' ' ' SER . . . . . 0.437 ' OG ' ' OD1' ' C' ' 104' ' ' ASP . 45.4 t -70.55 144.2 51.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.777 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.88 94.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.535 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 104' ' ' ASP . . . . . 0.578 ' OD1' ' N ' ' C' ' 105' ' ' ALA . 6.7 p30 -61.08 -40.01 92.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.778 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 105' ' ' ALA . . . . . 0.578 ' N ' ' OD1' ' C' ' 104' ' ' ASP . . . -62.04 -40.82 97.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.303 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 31.1 ttm -59.88 -46.23 89.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.727 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -62.63 -43.86 97.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.719 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . 0.556 ' O ' ' N ' ' C' ' 112' ' ' GLY . 91.4 mt-30 -64.0 -40.97 97.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.85 97.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 0.0 111.147 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 1.1 mp -71.86 -49.87 34.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.356 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 90.2 mt -87.91 -0.05 56.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.715 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 112' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . 56.73 -132.02 51.8 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.69 -19.62 58.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.734 0.302 . . . . 0.0 110.637 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 61.67 72.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.056 0.455 . . . . 0.0 110.774 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . 46.17 89.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.526 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.42 -28.02 62.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.09 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.49 -31.84 73.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.446 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 47.0 t -61.8 -47.84 83.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.806 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 11.1 tp -75.01 -45.56 40.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.789 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -97.7 116.09 29.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.558 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 1.7 mp -85.85 -18.77 31.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.697 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.29 -38.38 84.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.555 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . 0.533 ' O ' ' N ' ' C' ' 125' ' ' LEU . . . 70.39 -158.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.531 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 54.79 -82.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.575 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' C' ' 123' ' ' ALA . 39.2 mt -75.14 49.07 0.43 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.307 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.679 -179.84 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -157.3 143.46 17.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.494 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' -11' ' ' HIS . . . . . 0.722 ' HD1' ' H ' ' C' ' -10' ' ' HIS . 0.5 OUTLIER -159.89 -86.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.638 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' -10' ' ' HIS . . . . . 0.722 ' H ' ' HD1' ' C' ' -11' ' ' HIS . 4.4 p80 -166.75 103.47 0.58 Allowed 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.116 0.484 . . . . 0.0 110.473 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -61.22 -46.56 89.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.69 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -62.49 -36.24 81.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.453 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -59.19 -38.72 93.57 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.596 -1.001 . . . . 0.0 110.596 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . -162.0 142.21 7.82 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -149.99 -83.38 0.1 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.848 0.356 . . . . 0.0 111.026 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 18.3 t -136.06 71.36 62.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.292 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -70.96 145.42 50.15 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 122.492 2.128 . . . . 0.0 112.352 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -162.3 147.07 12.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.774 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . 146.46 -171.0 27.41 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.4 -6.26 6.85 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.214 0.531 . . . . 0.0 110.534 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.5 mtp -66.17 -34.07 77.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.23 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -59.18 -43.7 92.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.533 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -64.62 -41.74 95.98 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.187 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.94 -42.84 95.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.185 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -58.97 -45.54 90.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.208 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -58.89 -43.41 90.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.423 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.99 -40.71 94.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.976 0.417 . . . . 0.0 110.511 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.75 -40.47 95.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.496 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.473 ' O ' ' O ' ' C' ' 12' ' ' LEU . 75.4 t -63.08 -41.05 91.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.127 0.489 . . . . 0.0 110.509 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.05 -38.16 90.09 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.599 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -82.4 -38.55 23.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' C' ' 9' ' ' VAL . 58.3 mt -100.57 135.45 41.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.989 0.423 . . . . 0.0 110.594 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 66.7 p -81.32 164.95 21.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 57.4 mp0 -61.99 -41.85 98.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.237 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -62.56 -44.72 95.63 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.146 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -62.29 -38.88 91.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.023 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -60.49 -41.28 93.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.109 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -60.47 -44.66 95.67 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.353 0.597 . . . . 0.0 110.489 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.19 -38.77 92.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.232 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.99 -38.75 89.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.29 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -59.32 -45.0 92.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.433 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.57 95.01 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.53 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.6 93.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.452 0.644 . . . . 0.0 110.262 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -61.2 -42.19 98.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.679 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -59.32 -56.27 24.16 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.423 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 14.2 tt -61.11 -24.02 31.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.823 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.13 -39.78 86.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.018 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 26.4 m -87.03 15.8 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.319 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.48 122.59 17.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.563 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.72 6.72 89.2 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.29 112.78 2.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.815 0.34 . . . . 0.0 110.541 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.48 -40.55 89.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.799 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -91.65 3.88 54.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.638 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 68.55 28.67 73.04 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 93.3 p -150.6 164.12 36.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.32 . . . . 0.0 110.566 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 97.8 mt -76.19 120.28 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.386 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 49.7 m -119.26 -170.79 1.99 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.477 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.1 p -63.16 -36.03 82.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.481 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -44.17 97.03 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.997 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . 0.441 ' OE1' ' N ' ' C' ' 40' ' ' GLU . 20.1 mp0 -61.6 -43.7 98.38 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.746 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 48.2 tp -68.7 -37.38 79.48 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.264 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.04 -37.59 91.8 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -59.33 -39.89 84.54 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.365 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.54 -47.68 88.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.48 0.657 . . . . 0.0 110.114 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 60.0 mtt -63.57 -40.69 97.62 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.373 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.12 -37.89 86.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.491 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 5.2 tpp -58.34 -39.03 78.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.808 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.58 -13.1 62.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.711 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.93 10.56 45.79 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.81 158.51 18.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.776 0.322 . . . . 0.0 110.398 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -129.76 72.06 82.01 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.511 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -73.44 154.8 50.74 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.683 2.256 . . . . 0.0 112.518 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 30.9 p -95.55 143.27 25.83 Favored Pre-proline 0 N--CA 1.446 -0.646 0 C-N-CA 119.699 -0.801 . . . . 0.0 110.963 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -56.15 -31.31 82.99 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.301 2.001 . . . . 0.0 112.432 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . 0.447 ' O ' ' OE1' ' C' ' 59' ' ' GLU . 21.0 tp10 -61.44 -47.32 86.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.252 -178.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -73.56 -31.29 63.56 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.678 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.37 -42.01 93.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.859 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -69.25 -41.08 77.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.435 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . 0.487 ' N ' ' OE1' ' C' ' 59' ' ' GLU . 1.6 mp0 -64.18 -42.35 96.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 57.8 ttm -60.49 -46.02 91.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.427 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' C' ' 65' ' ' ASP . 3.9 mm -62.84 -43.25 98.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.689 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -59.94 -41.26 91.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.75 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . 0.414 ' OE1' ' O ' ' C' ' 59' ' ' GLU . 0.7 OUTLIER -64.68 -41.8 95.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.89 179.845 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 76.1 t -79.11 -32.34 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.041 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 46.9 t0 -42.55 143.36 0.68 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.535 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . 0.557 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 5.6 tp10 -86.3 -47.62 9.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.291 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 50.4 p-10 -101.88 1.23 36.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.272 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.23 23.73 76.19 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 69' ' ' SER . . . . . 0.51 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 93.5 p -67.67 -16.9 64.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.776 0.322 . . . . 0.0 110.846 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.16 -4.0 82.66 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 68.7 p -136.44 163.59 30.12 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 121.169 -0.212 . . . . 0.0 110.716 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . 0.409 ' O ' ' CG2' ' C' ' 72' ' ' VAL . 32.6 m -125.82 109.09 20.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.448 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.94 -170.75 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.52 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -58.44 -48.71 79.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -60.69 -46.97 88.33 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.737 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -69.04 -38.27 79.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.973 0.416 . . . . 0.0 110.979 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -59.88 -47.73 84.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.6 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 10.4 tp -62.3 -40.79 97.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.317 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.28 -41.22 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.709 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 63.5 mtp -59.62 -44.18 93.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 81' ' ' MET . . . . . 0.469 ' SD ' ' HAP' ' C' ' 84' ' ' 4J4 . 7.7 mmt -63.2 -44.32 95.68 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.905 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 89.5 t -68.75 -40.55 81.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.634 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -58.89 -43.6 90.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.424 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 84' ' ' 4J4 . . . . . 0.469 ' HAP' ' SD ' ' C' ' 81' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 78.3 mtm -62.21 -44.13 97.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.602 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -64.04 -44.01 93.8 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.779 -0.369 . . . . 0.0 111.262 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -63.69 -42.84 97.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.565 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . 0.538 ' O ' ' O ' ' C' ' 91' ' ' ASN . 97.8 m-20 -63.62 -40.35 96.68 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.504 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 48.2 t -71.1 -41.73 70.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.076 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.58 -46.25 90.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.172 -178.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 91' ' ' ASN . . . . . 0.538 ' O ' ' O ' ' C' ' 88' ' ' ASP . 36.0 p30 -116.31 165.7 12.89 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.583 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 26.9 mt -116.12 -13.16 11.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.872 0.368 . . . . 0.0 110.823 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -86.63 112.74 21.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.191 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.74 157.5 30.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.65 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -86.59 -158.85 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.213 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -59.02 -37.28 91.35 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.1 117.03 31.54 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.466 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -77.6 151.85 34.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.484 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 7.1 p -130.68 126.56 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.639 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -140.15 13.53 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.595 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 37.3 mm -112.26 126.02 69.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-O 120.942 0.401 . . . . 0.0 110.609 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 43.8 t -82.74 144.17 30.38 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.848 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.07 99.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.487 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -60.14 -40.61 90.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.533 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.26 96.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.617 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 13.6 ttp -63.57 -42.92 98.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.864 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 92.3 mtp -65.32 -38.45 90.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.314 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . 0.564 ' O ' ' N ' ' C' ' 112' ' ' GLY . 1.1 mm100 -60.54 -42.53 96.69 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.674 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.46 98.78 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.658 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.19 -41.24 90.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.022 0.439 . . . . 0.0 111.015 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 70.4 mt -98.19 9.22 43.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.436 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 112' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . -63.01 -26.75 69.42 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -71.41 -31.46 67.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.62 0.248 . . . . 0.0 111.048 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -106.13 -0.13 24.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.238 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.87 148.21 51.82 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.557 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -68.54 -18.74 64.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.524 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.89 -27.27 68.69 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.219 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 88.2 p -63.98 -35.78 81.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.523 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -84.59 -25.63 28.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.807 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -47.16 127.36 10.41 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.48 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 2.1 tp -163.26 -42.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.776 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -58.77 138.69 57.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.554 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -99.46 128.95 45.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 124' ' ' HIS . . . . . 0.411 ' O ' ' CG ' ' C' ' 124' ' ' HIS . 56.1 t-80 -141.7 -3.77 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.64 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 1.3 pp -148.51 147.6 29.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.51 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.878 -1.058 . . . . 0.0 110.465 -179.935 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' -12' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' C' ' -10' ' ' HIS . 85.2 t60 -149.45 133.51 17.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.699 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 65.52 -68.59 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' -10' ' ' HIS . . . . . 0.462 ' N ' ' O ' ' C' ' -12' ' ' HIS . 78.1 m80 -71.01 153.97 42.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' -9' ' ' HIS . . . . . 0.477 ' CG ' ' N ' ' C' ' -8' ' ' HIS . 0.0 OUTLIER 67.49 -50.59 0.5 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.856 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' -8' ' ' HIS . . . . . 0.477 ' N ' ' CG ' ' C' ' -9' ' ' HIS . 66.3 t-80 -60.52 -43.88 96.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.438 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -110.6 151.98 17.49 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . -154.25 -145.77 4.24 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.96 -11.1 59.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.586 0.231 . . . . 0.0 110.576 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 16.9 t -133.22 68.81 77.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.493 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -75.62 157.85 40.01 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.799 2.333 . . . . 0.0 112.267 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -64.84 -24.34 67.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.49 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' -1' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' C' ' 0' ' ' SER . . . -66.05 -12.17 56.91 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 0' ' ' SER . . . . . 0.457 ' O ' ' O ' ' C' ' -1' ' ' GLY . 19.6 m -55.5 -158.21 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.918 0.389 . . . . 0.0 110.499 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.4 mmt -103.78 18.05 22.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.664 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' C' ' 2' ' ' ASP . 27.4 p-10 -57.78 -37.91 74.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.935 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.72 -40.05 93.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.602 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . 0.468 ' N ' ' CD1' ' C' ' 4' ' ' ILE . 1.8 mp -62.63 -42.98 98.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -57.97 -46.16 85.6 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.226 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm -63.43 -43.3 97.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.854 0.359 . . . . 0.0 111.033 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.6 91.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.099 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.55 -44.76 95.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.112 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.22 -43.69 98.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.782 0.325 . . . . 0.0 110.822 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.55 -40.18 93.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.786 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -80.36 -38.81 29.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.035 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 32.1 mt -82.77 146.2 29.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.647 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 43.5 p -118.95 179.54 4.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.479 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -59.11 -39.3 81.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.329 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -61.48 -45.36 94.59 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.527 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -64.17 -39.66 94.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.398 0.618 . . . . 0.0 110.403 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -67.24 -37.98 84.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.912 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -59.57 -49.0 79.47 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.391 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -65.15 -34.38 78.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.386 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.27 -45.17 92.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.801 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -59.83 -44.54 93.99 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.878 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.38 87.56 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.441 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.09 94.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.61 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -61.49 -43.72 98.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.657 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -59.97 -41.4 91.88 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.488 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.0 -41.07 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.965 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -61.85 -45.84 92.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.907 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 27.7 m -74.96 -17.48 16.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.957 0.408 . . . . 0.0 110.525 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.56 111.22 3.5 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.669 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.77 -9.15 58.38 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.91 120.71 17.89 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.636 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -68.07 -41.97 81.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.625 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.58 -22.09 64.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.643 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.82 10.1 67.41 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 91.4 p -148.43 173.38 13.15 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.785 0.326 . . . . 0.0 110.572 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 69.0 mt -76.7 123.79 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 83.0 p -118.39 -175.8 2.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.695 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -29.26 67.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.358 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -61.41 -44.68 96.71 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.711 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -66.26 -41.13 90.36 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.405 0.622 . . . . 0.0 110.369 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 mt -68.0 -36.38 79.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.675 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.73 -44.11 97.25 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -61.71 -45.14 95.23 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.968 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.87 -44.58 98.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.441 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 45' ' ' MET . . . . . 0.427 ' C ' ' O ' ' C' ' 50' ' ' GLN . 22.2 mmt -63.67 -38.47 91.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.619 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -58.47 -45.62 88.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.917 0.389 . . . . 0.0 110.422 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 74.0 mtm -65.32 -36.18 83.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.438 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.73 -8.67 37.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.66 9.61 52.29 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' C' ' 45' ' ' MET . 20.4 mm-40 -122.88 134.2 54.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.874 0.369 . . . . 0.0 110.629 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . 0.514 ' N ' ' OD1' ' C' ' 51' ' ' ASN . 8.1 p-10 -138.58 69.97 45.26 Favored Pre-proline 0 C--N 1.326 -0.45 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.357 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.0 155.43 68.23 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 123.21 2.606 . . . . 0.0 111.717 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 26.8 p -59.05 138.57 87.79 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 120.009 -0.676 . . . . 0.0 110.996 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.71 -38.58 77.21 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 122.301 2.001 . . . . 0.0 112.258 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -61.35 -45.36 94.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.347 . . . . 0.0 110.677 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.4 -39.35 93.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.684 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.79 -42.6 99.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -63.26 -42.04 99.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.779 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.31 -43.06 99.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.966 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 99.4 mtp -65.45 -39.56 92.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.951 0.405 . . . . 0.0 110.663 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 1.2 mp -62.61 -40.59 88.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.385 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -60.57 -46.08 91.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.432 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -68.62 -39.14 80.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.82 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.79 -39.89 86.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.452 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.523 ' OD2' ' N ' ' C' ' 71' ' ' THR . 97.6 m-20 -53.6 119.75 5.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 0.0 110.44 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 41.7 mp0 -67.68 -40.69 84.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.775 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -91.36 -0.09 57.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.26 25.31 73.57 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 99.0 p -61.17 -20.52 62.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.904 0.383 . . . . 0.0 110.716 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.23 -9.36 77.76 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 71' ' ' THR . . . . . 0.523 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 68.4 p -137.91 172.43 12.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.636 0.255 . . . . 0.0 110.548 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 72.3 t -104.88 107.14 21.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.221 0.534 . . . . 0.0 110.551 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 45.0 p-10 -96.43 -169.45 1.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.653 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -56.76 -49.75 74.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.009 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.88 -46.81 87.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.005 0.431 . . . . 0.0 111.087 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -65.62 -38.76 90.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.425 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -59.94 -48.11 83.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.244 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.43 -40.3 78.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.97 -179.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.99 -47.82 91.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-O 121.332 0.587 . . . . 0.0 110.545 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 89.5 mtp -63.59 -39.99 95.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.552 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 3.0 ttt -60.9 -38.86 87.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 57.9 t -60.43 -38.08 76.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.117 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 31.6 ttp-105 -49.47 -43.86 45.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.589 -178.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 25.3 mmt -68.9 -29.89 68.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.591 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -59.44 -46.65 88.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.331 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -68.92 -40.13 79.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.005 0.431 . . . . 0.0 110.429 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' C' ' 88' ' ' ASP . 54.7 t0 -66.6 -28.42 68.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.576 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 47.6 t -58.14 -48.07 81.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.498 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . 0.515 ' O ' ' C ' ' C' ' 91' ' ' ASN . 15.4 tm-20 -75.7 -57.52 3.83 Favored 'General case' 0 CA--C 1.51 -0.579 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.464 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 91' ' ' ASN . . . . . 0.515 ' C ' ' O ' ' C' ' 90' ' ' GLU . 24.2 t-20 12.56 76.31 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.659 0 O-C-N 124.49 1.119 . . . . 0.0 111.585 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 92' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' C' ' 94' ' ' PHE . 5.9 tp -158.32 128.34 5.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.144 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 4.2 t80 65.28 -65.9 0.15 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.3 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 94' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' C' ' 92' ' ' LEU . 57.4 t80 -97.12 95.74 7.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.362 -0.381 . . . . 0.0 109.996 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -125.25 72.31 1.24 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.565 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.45 -40.15 98.27 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -77.44 125.81 29.92 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.424 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -105.99 136.89 44.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.567 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 9.9 p -139.11 136.74 42.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.188 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 45.3 ttt-85 -125.47 34.23 4.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.468 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 78.7 mt -128.1 121.51 56.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.546 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 102' ' ' SER . . . . . 0.632 ' HG ' ' H ' ' C' ' 105' ' ' ALA . 66.6 p -86.14 167.55 14.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.596 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.94 97.07 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.15 0.5 . . . . 0.0 110.286 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.52 -39.22 93.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.185 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 105' ' ' ALA . . . . . 0.632 ' H ' ' HG ' ' C' ' 102' ' ' SER . . . -61.32 -38.94 88.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.341 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 54.3 ttm -59.48 -47.71 84.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.412 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 65.4 ttp -60.8 -44.3 97.03 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.123 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -63.35 -44.04 95.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.456 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.59 -40.76 97.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.442 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.51 -44.64 95.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.119 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 3.5 tp -76.51 -36.49 57.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.391 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.02 175.49 42.43 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.17 97.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.892 0.377 . . . . 0.0 110.672 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -57.62 129.97 44.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.58 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -165.13 -139.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.763 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 116' ' ' LYS . . . . . 0.41 ' HG2' ' H ' ' C' ' 117' ' ' GLU . 2.2 ttmm 62.45 178.31 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.434 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . 0.458 ' O ' ' O ' ' C' ' 120' ' ' ASP . 90.2 mt-10 -91.71 4.97 51.51 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.534 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 36.2 t -60.18 -40.35 89.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.346 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.11 -37.26 86.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.313 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . 0.464 ' O ' ' O ' ' C' ' 121' ' ' LEU . 75.0 m-20 -94.99 147.77 23.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.497 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . 0.464 ' O ' ' O ' ' C' ' 120' ' ' ASP . 0.6 OUTLIER 57.52 148.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.527 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.46 163.08 18.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.711 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . 57.67 -131.67 1.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.54 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 124' ' ' HIS . . . . . 0.526 ' CE1' ' O ' ' C' ' 125' ' ' LEU . 6.1 p80 -99.06 168.17 10.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.447 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . 0.526 ' O ' ' CE1' ' C' ' 124' ' ' HIS . 0.6 OUTLIER -55.75 141.01 40.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.552 -179.763 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.843 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -160.96 -30.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.403 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -64.09 -40.13 95.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.977 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.4 -12.78 9.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.374 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -82.02 121.77 26.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.402 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -128.82 156.45 43.59 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.574 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -85.48 3.87 86.53 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . 72.16 29.83 66.04 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 2.3 tp 71.08 19.45 5.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.674 0.273 . . . . 0.0 110.602 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 38.5 t -131.12 83.23 61.07 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.316 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.3 134.19 55.91 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.533 2.155 . . . . 0.0 111.731 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 3.9 mmm-85 178.24 -3.83 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 O-C-N 123.392 0.432 . . . . 0.0 110.493 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . -92.75 -154.91 31.53 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 10.1 m 44.67 93.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.849 0.356 . . . . 0.0 110.53 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.9 ptm -88.03 16.16 6.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.595 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -60.18 -39.83 87.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.541 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -62.9 -42.07 99.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.447 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.3 -45.51 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.444 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -58.94 -47.65 84.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.424 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.61 -44.19 97.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.402 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.67 -40.03 93.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.545 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.81 -41.26 95.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.386 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.489 ' O ' ' O ' ' C' ' 12' ' ' LEU . 79.3 t -63.26 -40.77 90.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.069 0.461 . . . . 0.0 109.982 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.63 -46.31 90.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.351 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -72.59 -41.33 65.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.816 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' C' ' 9' ' ' VAL . 12.3 mt -117.57 133.64 55.74 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.194 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 58.1 p -81.97 163.56 22.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -62.98 -40.29 97.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.344 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . 0.45 ' O ' ' OE2' ' C' ' 19' ' ' GLU . 40.2 mp0 -63.67 -41.07 98.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.636 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -62.99 -41.19 99.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.334 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -61.39 -40.68 95.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.757 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.25 -44.21 97.62 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.518 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . 0.45 ' OE2' ' O ' ' C' ' 15' ' ' GLU . 0.8 OUTLIER -70.72 -42.49 70.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.873 0.368 . . . . 0.0 110.805 179.476 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -61.45 -25.9 67.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.606 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -54.89 -36.74 65.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.399 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.12 -41.61 97.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.933 0.397 . . . . 0.0 110.25 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.23 -40.39 95.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.102 0.477 . . . . 0.0 110.268 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . 0.62 ' CD2' ' CE2' ' C' ' 74' ' ' PHE . 62.9 t80 -62.66 -42.47 99.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.226 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -57.65 -39.58 77.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.027 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.0 -41.8 93.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.204 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.19 -35.46 71.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 33.3 m -102.37 28.23 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . 0.45 ' O ' ' CD1' ' C' ' 29' ' ' LEU . 2.6 pp -63.07 122.76 16.86 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.598 0.713 . . . . 0.0 110.639 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 62.92 22.85 65.07 Favored Glycine 0 CA--C 1.523 0.549 0 C-N-CA 120.293 -0.956 . . . . 0.0 110.712 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.89 124.47 21.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 110.678 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.08 -39.98 78.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.768 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -91.97 -23.73 19.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.727 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.92 -5.81 79.16 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 94.4 p -122.41 174.99 6.68 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.76 0.314 . . . . 0.0 110.608 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 mm -82.23 129.16 37.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 9.5 t -131.44 -169.59 2.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.408 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 70.6 p -60.76 -36.38 78.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.676 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.83 -44.97 91.65 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.399 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -70.8 -40.67 72.39 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.994 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . 0.433 ' O ' ' SD ' ' C' ' 45' ' ' MET . 0.6 OUTLIER -60.09 -27.0 66.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.825 -179.842 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.38 -34.31 74.35 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.399 -1.081 . . . . 0.0 110.399 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -62.26 -41.84 98.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.771 0.319 . . . . 0.0 110.443 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 77.4 t -63.77 -44.77 98.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.429 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 45' ' ' MET . . . . . 0.61 ' SD ' ' N ' ' C' ' 45' ' ' MET . 0.0 OUTLIER -61.95 -41.8 98.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.745 0.307 . . . . 0.0 111.141 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -61.43 -44.04 97.83 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.428 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 78.2 mtm -65.68 -39.29 91.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.324 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 2.6 mp -70.76 -13.16 61.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.15 4.11 78.33 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -95.0 150.03 20.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.36 . . . . 0.0 110.612 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -138.41 70.31 46.43 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -76.31 156.35 37.21 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.85 2.366 . . . . 0.0 112.618 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 53.9 p -69.68 153.07 95.94 Favored Pre-proline 0 N--CA 1.451 -0.422 0 C-N-CA 120.024 -0.67 . . . . 0.0 111.067 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -54.87 -38.84 92.37 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 122.088 1.859 . . . . 0.0 112.398 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -62.71 -42.42 99.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.862 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.5 -40.47 95.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.628 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 71.3 mt -62.84 -40.27 96.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -60.07 -45.38 93.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.45 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.51 -38.12 88.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.83 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 34.4 tpp -59.78 -44.48 93.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.491 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.57 -40.21 85.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -58.51 -43.04 88.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.346 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -71.44 -40.62 70.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.738 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 63.5 t -67.27 -39.91 83.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.295 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.474 ' OD2' ' N ' ' C' ' 70' ' ' GLY . 80.8 m-20 -50.73 130.5 24.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.132 0.491 . . . . 0.0 110.643 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -68.82 -41.92 77.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.308 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -106.09 1.46 26.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.53 23.99 77.18 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 93.0 p -62.4 -19.86 63.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.961 0.41 . . . . 0.0 110.683 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . 0.474 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 95.44 -11.93 68.29 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 63.0 p -137.22 162.5 33.32 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.432 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.72 115.91 51.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.888 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.85 179.28 6.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.518 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . 0.62 ' CE2' ' CD2' ' C' ' 24' ' ' PHE . 0.2 OUTLIER -58.18 -50.64 72.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.573 -179.483 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.84 -46.6 89.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.888 0.375 . . . . 0.0 111.027 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -66.03 -37.41 85.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.363 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -59.1 -47.47 85.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.37 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.65 -41.55 90.83 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.064 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 55.4 t -61.84 -43.58 97.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.473 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 12.7 mmm -57.51 -45.85 84.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.068 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 3.2 mtt -61.89 -45.56 93.19 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.769 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.13 -46.09 96.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.884 0.373 . . . . 0.0 110.79 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.67 -41.42 92.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.747 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 60.8 mtt -61.69 -43.91 97.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.796 0.331 . . . . 0.0 110.674 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -64.57 -40.88 96.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.787 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -61.99 -47.43 84.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.809 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.99 -42.64 99.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 74.4 m -67.25 -43.31 82.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.086 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -64.38 -39.32 93.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.636 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 91' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -76.74 116.41 17.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 3.9 mp -100.1 138.73 36.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.619 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 93' ' ' TYR . . . . . 0.606 ' O ' ' N ' ' C' ' 95' ' ' GLN . 1.9 m-85 51.71 -94.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.994 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 37.91 -85.78 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.092 0 O-C-N 123.49 0.494 . . . . 0.0 110.798 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 95' ' ' GLN . . . . . 0.606 ' N ' ' O ' ' C' ' 93' ' ' TYR . 20.6 mt-30 -76.92 127.36 32.57 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.249 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -63.3 -39.84 98.29 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.341 -0.703 . . . . 0.0 111.341 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 87.1 mmt-85 -62.28 149.28 42.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.133 0.492 . . . . 0.0 110.639 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -131.28 172.03 12.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.925 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 4.8 m -87.15 86.83 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.515 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -81.44 -18.59 44.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.643 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 2.9 mp -105.18 112.34 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.413 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 102' ' ' SER . . . . . 0.679 ' HG ' ' H ' ' C' ' 105' ' ' ALA . 82.8 p -73.66 161.2 30.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.605 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.54 99.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.636 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -64.53 -43.16 94.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.455 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 105' ' ' ALA . . . . . 0.679 ' H ' ' HG ' ' C' ' 102' ' ' SER . . . -61.59 -40.64 95.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.546 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 64.9 ttp -61.93 -44.13 97.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.386 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -41.52 95.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.526 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' C' ' 112' ' ' GLY . 71.3 mt-30 -62.1 -40.97 97.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.711 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.03 93.5 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.674 -0.411 . . . . 0.0 111.055 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 18.5 mt -67.89 -43.44 79.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.197 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 9.3 mp -76.09 -38.09 57.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.708 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 112' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . 59.92 -133.48 51.12 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . 66.15 -153.26 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 0.0 110.81 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -74.76 155.04 38.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.545 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -85.48 -136.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.484 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.46 143.2 53.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.782 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.91 -14.02 58.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.559 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 47.0 t -58.36 -38.86 78.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.033 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 97.3 mt -81.45 -7.09 59.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.792 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -124.61 24.0 7.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.56 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 4.3 tt -163.39 132.24 3.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.689 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' C' ' 123' ' ' ALA . 0.0 OUTLIER -118.8 -5.52 10.63 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.938 -179.851 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' C' ' 122' ' ' ARG . . . 60.63 125.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.434 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 124' ' ' HIS . . . . . 0.443 ' O ' ' O ' ' C' ' 125' ' ' LEU . 84.9 t60 -106.15 111.62 24.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.531 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' C' ' 124' ' ' HIS . 68.5 mt 44.14 -171.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.731 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 62.2 pttt . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.602 -179.946 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -64.77 -20.16 66.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.434 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -58.42 -38.31 77.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.577 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' -10' ' ' HIS . . . . . 0.423 ' O ' ' CB ' ' C' ' -9' ' ' HIS . 96.3 m-70 -64.21 -39.33 93.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.495 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' -9' ' ' HIS . . . . . 0.423 ' CB ' ' O ' ' C' ' -10' ' ' HIS . 13.2 t-80 76.43 -45.88 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.456 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' -8' ' ' HIS . . . . . 0.535 ' HD1' ' H ' ' C' ' -7' ' ' GLY . 1.4 t-80 60.08 151.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.644 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' -7' ' ' GLY . . . . . 0.535 ' H ' ' HD1' ' C' ' -8' ' ' HIS . . . 88.92 -6.05 84.02 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . -98.69 59.02 0.91 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 7.3 mp -112.08 178.71 4.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.634 0.254 . . . . 0.0 110.457 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 40.8 t -122.65 87.5 49.64 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.121 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -51.99 -173.73 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.795 2.33 . . . . 0.0 112.294 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -46.65 141.07 4.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.366 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . -126.5 -131.1 3.49 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 4.3 t -82.73 -83.24 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.851 0.358 . . . . 0.0 110.418 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -73.1 67.75 0.92 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.145 0.498 . . . . 0.0 110.149 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' C' ' 3' ' ' ASP . 46.2 p-10 -58.6 -30.91 67.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.37 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' C' ' 2' ' ' ASP . 34.4 p-10 -60.91 -44.85 96.58 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.905 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . 0.492 ' N ' ' OD1' ' C' ' 3' ' ' ASP . 94.9 mt -63.37 -46.81 94.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.019 0.437 . . . . 0.0 110.961 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -66.83 -39.03 87.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.009 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -61.38 -41.91 97.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.556 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.13 -41.96 99.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.681 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.3 99.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.11 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.457 ' O ' ' O ' ' C' ' 12' ' ' LEU . 74.9 t -64.93 -40.09 87.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.423 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.34 -42.42 98.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.861 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -79.59 -40.54 29.12 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.505 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.457 ' O ' ' O ' ' C' ' 9' ' ' VAL . 1.1 mp -117.38 143.77 45.63 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.795 -179.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 68.3 p -107.47 163.27 13.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.695 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -61.97 -39.72 93.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.801 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.52 -41.55 98.92 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.332 0.587 . . . . 0.0 110.29 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -64.23 -38.75 92.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.155 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -59.35 -41.67 89.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.143 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -59.41 -46.38 88.86 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.04 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -68.32 -40.39 81.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.153 0.501 . . . . 0.0 110.644 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -61.79 -23.03 65.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.478 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -54.54 -38.38 66.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.012 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.1 98.02 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.367 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.86 95.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.406 0.622 . . . . 0.0 110.482 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . 0.459 ' CE2' ' CE2' ' C' ' 74' ' ' PHE . 57.5 t80 -66.78 -38.81 87.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.562 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -58.87 -49.4 77.9 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.914 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 35.9 pt -65.8 -31.41 53.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.476 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.21 -46.99 47.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.03 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 2.0 p -80.54 -2.28 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.438 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . 0.441 ' O ' ' OE2' ' C' ' 40' ' ' GLU . 60.9 tp -56.03 129.75 41.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.109 0.481 . . . . 0.0 110.35 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.65 -13.54 67.02 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.52 97.99 9.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.972 0.415 . . . . 0.0 110.198 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.81 -21.59 66.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.606 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.42 -21.27 66.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.422 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.12 -4.2 84.54 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 64.6 m -132.35 149.62 52.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 110.796 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 10.4 pt -57.96 122.12 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.052 0.453 . . . . 0.0 110.585 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 73.6 p -114.83 -178.65 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.395 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 74.2 p -63.93 -35.33 80.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.382 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -61.78 -46.51 89.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.571 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . 0.441 ' OE2' ' O ' ' C' ' 29' ' ' LEU . 1.3 mm-40 -68.79 -45.06 72.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.578 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . 0.534 ' O ' ' SD ' ' C' ' 45' ' ' MET . 86.4 mt -62.26 -28.72 69.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.873 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.63 -38.59 91.89 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -61.45 -39.49 91.02 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.773 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.19 -45.53 98.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.403 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 45' ' ' MET . . . . . 0.597 ' SD ' ' N ' ' C' ' 45' ' ' MET . 0.0 OUTLIER -61.17 -42.09 97.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.772 0.32 . . . . 0.0 110.68 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.54 -39.45 93.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.395 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 51.4 ttm -60.99 -41.27 96.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.201 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 tp -73.18 -11.45 60.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.57 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.26 -5.95 59.33 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -88.12 139.23 30.72 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 120.923 0.392 . . . . 0.0 110.795 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -71.01 148.15 94.27 Favored Pre-proline 0 C--N 1.327 -0.409 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.623 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.85 141.21 53.13 Favored 'Trans proline' 0 N--CA 1.491 1.382 0 C-N-CA 122.041 1.828 . . . . 0.0 112.112 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 1.1 p -138.27 106.18 7.9 Favored Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.991 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.27 -21.43 35.8 Favored 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 121.912 1.741 . . . . 0.0 112.331 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -73.27 -49.36 28.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.052 0.453 . . . . 0.0 111.486 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.56 -37.17 60.15 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.055 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 69.0 mt -62.28 -43.07 99.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.788 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -67.79 -38.66 83.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.126 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -69.91 -41.73 74.28 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.707 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 14.2 tpt -66.87 -48.51 68.55 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.625 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 17.8 tt -63.15 -34.49 67.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -68.69 -46.56 68.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.34 -46.31 87.22 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.293 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 35.1 m -75.14 -15.71 15.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.616 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.553 ' OD2' ' N ' ' C' ' 69' ' ' SER . 51.7 t0 -45.66 151.03 0.45 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.263 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . 0.549 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 13.5 tm-20 -78.89 -49.88 12.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.856 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . 0.534 ' CG ' ' HG ' ' C' ' 69' ' ' SER . 35.5 p30 -114.38 7.03 16.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.32 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.21 23.28 77.83 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 120.318 -0.944 . . . . 0.0 111.226 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 69' ' ' SER . . . . . 0.553 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 51.0 m -65.42 -16.47 63.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.4 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.25 -12.77 69.11 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 78.5 p -135.54 164.0 28.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.629 0.252 . . . . 0.0 110.475 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 59.9 t -109.85 105.98 19.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.551 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.01 177.88 7.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.487 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . 0.459 ' CE2' ' CE2' ' C' ' 24' ' ' PHE . 62.6 m-85 -60.12 -49.0 79.37 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.982 0.42 . . . . 0.0 110.763 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -65.01 -39.71 93.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.572 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.88 -39.93 95.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.792 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -60.33 -47.37 86.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.525 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.63 -48.02 83.63 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.513 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 64.0 t -69.54 -45.56 77.96 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.602 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 64.4 ttp -58.81 -25.26 63.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -53.02 -37.93 61.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.437 -179.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 1.6 m -72.08 -35.72 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.38 . . . . 0.0 110.755 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' C' ' 84' ' ' 4J4 . 63.8 ttm-85 -62.03 -38.57 89.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.248 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 84' ' ' 4J4 . . . . . 0.452 ' SG ' ' N ' ' C' ' 85' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 85' ' ' MET . . . . . 0.452 ' N ' ' SG ' ' C' ' 84' ' ' 4J4 . 3.8 mtt -62.9 -39.62 95.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.721 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -65.47 -40.99 93.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.692 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -62.24 -45.82 91.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.496 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -64.12 -38.04 89.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.878 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 74.9 m -59.49 -37.28 77.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.534 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -55.48 -27.19 46.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.385 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 91' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -80.59 0.61 33.27 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.118 0.485 . . . . 0.0 110.783 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 42.88 -143.95 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.614 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -113.23 44.86 1.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.764 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.59 -36.77 25.16 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.93 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -101.7 156.7 17.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.713 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -60.81 -42.25 99.45 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 95.0 mtm-85 -87.31 153.9 21.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 0.0 110.977 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.2 -155.8 0.45 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.273 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 3.0 m -42.28 123.05 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.927 0.394 . . . . 0.0 110.36 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 100' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' C' ' 100' ' ' ARG . 0.0 OUTLIER -47.62 -68.87 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.749 -179.785 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 82.0 mt -127.68 128.29 69.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.256 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 2.2 m -65.09 158.9 24.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.006 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.55 96.76 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.942 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 104' ' ' ASP . . . . . 0.461 ' CG ' ' N ' ' C' ' 105' ' ' ALA . 0.6 OUTLIER -67.61 -44.26 78.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.34 -179.728 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 105' ' ' ALA . . . . . 0.461 ' N ' ' CG ' ' C' ' 104' ' ' ASP . . . -61.78 -38.87 89.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.437 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 37.8 ttm -59.36 -46.36 88.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.528 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 11.6 tpp -60.88 -46.8 89.17 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.673 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -62.44 -41.6 98.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.635 -178.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.14 99.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 10.2 tp -73.75 -50.27 21.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.445 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 62.8 tp -62.86 -48.26 79.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.83 -149.72 17.12 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -109.32 -38.94 5.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.731 0.301 . . . . 0.0 110.796 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 40.5 mtt85 -65.12 117.93 8.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.041 0.448 . . . . 0.0 110.899 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -91.15 175.03 7.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.217 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 7.4 mmmt -126.74 154.62 43.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.742 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 68.76 3.1 3.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.466 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 90.1 p -63.34 -23.18 67.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.518 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 2.1 mp -61.69 -30.59 70.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.508 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -81.88 144.63 30.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.622 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -148.92 -172.98 4.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.743 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -62.37 -19.0 62.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.177 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.05 86.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.399 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 54.71 93.64 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.916 0.389 . . . . 0.0 110.618 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 89.4 mt -75.48 150.47 38.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.668 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 98.0 mttt . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.443 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' -13' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' C' ' -11' ' ' HIS . 61.7 m170 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 11.2 m80 51.89 -88.47 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.682 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' -11' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' C' ' -13' ' ' HIS . 44.0 t-80 57.82 48.31 13.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.488 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 42.2 p-80 -65.62 157.97 28.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.571 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -151.36 131.23 13.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.445 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -109.11 138.21 45.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -85.8 -169.98 46.54 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . 92.58 -9.89 75.04 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 3.5 tp -114.27 55.44 0.74 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.841 0.353 . . . . 0.0 110.444 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 13.0 t -133.8 68.66 75.53 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.393 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -70.84 151.46 62.91 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.765 2.31 . . . . 0.0 112.088 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 24.5 ttm180 48.81 74.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.539 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . -74.41 153.93 46.86 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.61 116.62 2.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.851 0.358 . . . . 0.0 110.422 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 60.3 mmm 58.78 18.94 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.215 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.57 -38.32 89.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -57.43 -47.63 81.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.541 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 90.3 mt -62.84 -41.33 92.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.981 0.419 . . . . 0.0 110.156 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -62.3 -41.76 98.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.145 0.498 . . . . 0.0 110.188 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -64.83 -39.85 94.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.486 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.51 91.06 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.519 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.21 92.19 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 121.154 0.502 . . . . 0.0 110.353 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 60.5 t -71.34 -40.29 73.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.995 0.426 . . . . 0.0 110.937 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -61.03 -48.82 80.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.948 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -38.04 87.36 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.176 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 39.9 mt -62.35 136.96 58.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.772 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.1 p -95.07 167.57 11.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.68 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.24 -39.66 91.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.405 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.44 -46.07 91.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -66.22 -41.04 90.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.464 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -67.3 -41.77 84.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.232 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -61.98 -45.13 94.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.604 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.65 -46.4 89.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.438 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -63.27 -41.53 99.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.691 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -63.28 -42.93 99.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.616 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.24 -44.07 97.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.489 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.71 -39.75 95.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.447 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -59.2 -46.59 88.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.78 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -58.74 -43.05 90.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.082 0.468 . . . . 0.0 110.541 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 87.3 mt -59.99 -43.86 93.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.822 0.344 . . . . 0.0 110.643 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -69.82 -37.0 76.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.06 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.15 -16.19 19.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.123 -178.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.51 128.07 34.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.198 -179.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.1 -8.71 45.63 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.39 119.65 36.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.829 0.347 . . . . 0.0 110.487 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -65.45 -38.56 90.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.808 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -64.45 -25.92 68.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.526 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.77 14.73 57.7 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 88.0 p -136.11 168.52 19.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.791 0.329 . . . . 0.0 110.612 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 3.9 pt -85.56 119.51 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.536 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 97.4 p -110.61 -162.2 0.79 Allowed 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.7 p -66.23 -32.04 73.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.574 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -59.99 -44.66 94.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.951 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 37.3 mp0 -64.92 -41.47 95.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.995 0.426 . . . . 0.0 110.518 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -37.35 87.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.207 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.36 -40.77 99.1 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -61.94 -42.43 99.1 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.1 0.476 . . . . 0.0 109.961 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 63.2 t -62.66 -42.94 97.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.217 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 23.6 mmt -61.99 -37.75 86.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.109 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . 0.667 ' HE ' ' ND2' ' C' ' 51' ' ' ASN . 4.1 mmt85 -60.63 -40.58 92.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.07 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 22.8 mtt -62.61 -39.12 92.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.94 0.4 . . . . 0.0 110.282 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 18.9 mt -72.68 -10.02 59.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.504 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.9 18.74 49.97 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -125.97 148.4 49.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.889 0.376 . . . . 0.0 110.355 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . 0.667 ' ND2' ' HE ' ' C' ' 46' ' ' ARG . 18.0 t-20 -140.47 71.54 31.87 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.582 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -60.66 152.07 71.63 Favored 'Trans proline' 0 C--N 1.304 -1.763 0 C-N-CA 122.959 2.44 . . . . 0.0 112.098 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.57 155.15 61.39 Favored Pre-proline 0 N--CA 1.453 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.585 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -60.57 -32.18 93.15 Favored 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.541 2.161 . . . . 0.0 112.351 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -62.87 -45.83 90.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.629 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -63.96 -39.66 94.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.732 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 98.5 mt -62.88 -40.17 96.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.616 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -64.12 -40.99 97.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.042 0.448 . . . . 0.0 110.445 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -71.74 -39.5 70.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.78 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 59.3 ttm -62.15 -49.27 76.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.164 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 14.4 tt -69.49 -31.59 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.615 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.34 -43.99 96.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.796 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.54 -41.4 93.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.804 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . 0.522 ' O ' ' NH2' ' C' ' 83' ' ' ARG . 75.7 t -68.15 -39.48 81.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.594 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 23.7 t0 -39.02 152.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.401 -179.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . 0.528 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 2.5 tt0 -91.49 -41.83 10.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.035 -179.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -104.04 -1.65 27.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.24 15.78 74.91 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 46.8 m -68.14 -18.03 64.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 110.486 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.32 -4.01 82.38 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 88.7 m -131.42 137.66 48.74 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.712 0.291 . . . . 0.0 110.482 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 73.2 t -117.08 128.04 74.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.736 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . 0.51 ' CG ' ' H ' ' C' ' 74' ' ' PHE . 35.3 t0 -104.95 -171.78 1.98 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.746 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . 0.51 ' H ' ' CG ' ' C' ' 73' ' ' ASP . 0.2 OUTLIER -59.56 -51.08 71.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.172 179.567 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -59.22 -50.52 73.71 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.761 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.23 -40.05 96.35 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.719 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -59.17 -48.66 80.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.869 0.366 . . . . 0.0 111.186 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -53.7 49.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.316 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 34.4 m -72.87 -37.7 55.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.227 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 80' ' ' MET . . . . . 0.466 ' SD ' ' CG1' ' C' ' 64' ' ' VAL . 17.3 tmm? -61.37 -39.66 91.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.411 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 81' ' ' MET . . . . . 0.463 ' C ' ' SD ' ' C' ' 81' ' ' MET . 0.0 OUTLIER -50.55 -49.0 57.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.653 -178.843 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 73.0 t -69.6 -44.59 79.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.907 0.384 . . . . 0.0 110.958 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . 0.522 ' NH2' ' O ' ' C' ' 64' ' ' VAL . 23.2 ttp180 -62.56 -41.19 98.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 -179.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 84' ' ' 4J4 . . . . . 0.47 ' OAF' ' CAQ' ' C' ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 67.3 mtt -62.09 -38.5 89.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.831 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -58.36 -25.99 62.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.577 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -59.53 -48.67 80.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.352 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -67.51 -38.94 85.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.066 0.46 . . . . 0.0 110.399 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 47.4 t -60.13 -38.89 84.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.549 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -45.41 -24.98 0.36 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.476 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 91' ' ' ASN . . . . . 0.407 ' O ' ' CB ' ' C' ' 92' ' ' LEU . 59.6 t-20 -58.96 -39.32 81.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.551 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 92' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' C' ' 91' ' ' ASN . 2.0 tp 74.94 150.91 0.12 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.612 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 2.6 t80 71.99 101.77 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.308 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -88.24 127.63 35.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.461 -179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -80.55 -16.19 54.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.736 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . 133.81 -42.87 1.32 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -126.61 109.09 11.73 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.804 0.335 . . . . 0.0 110.553 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -64.03 -43.98 93.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.878 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 44.6 t -128.08 128.62 69.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.229 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -62.77 -44.72 95.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.801 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 84.1 mt -104.61 129.16 57.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.57 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 67.8 m -61.75 151.33 34.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.705 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.06 78.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.509 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -58.73 -44.03 90.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.519 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.71 98.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.896 0.379 . . . . 0.0 110.671 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 93.4 mmm -63.23 -44.57 94.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.749 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 94.5 mtp -65.49 -42.56 92.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -66.17 -41.75 89.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.67 -40.65 95.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.75 -51.57 58.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.985 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 85.1 mt -65.04 -42.13 94.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.981 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . 63.76 25.91 69.48 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.77 -41.45 97.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.768 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -86.29 141.9 28.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.8 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -93.97 179.44 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.599 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -101.36 153.93 19.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.471 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . 0.522 ' OE1' ' N ' ' C' ' 117' ' ' GLU . 0.3 OUTLIER -119.62 76.33 1.13 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 121.437 0.637 . . . . 0.0 110.537 -179.249 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 71.1 m -66.62 -41.92 87.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.966 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 12.3 mt -96.98 -6.32 35.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.123 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' C' ' 121' ' ' LEU . 0.9 OUTLIER 45.81 -147.21 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.562 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' C' ' 120' ' ' ASP . 2.2 mp 50.9 176.55 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.62 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 40.78 36.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.664 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . 0.479 ' C ' ' HD1' ' C' ' 124' ' ' HIS . . . -139.91 -69.08 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.683 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 124' ' ' HIS . . . . . 0.479 ' HD1' ' C ' ' C' ' 123' ' ' ALA . 0.8 OUTLIER -117.48 157.67 25.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.587 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.62 135.65 54.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.5 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.583 -179.928 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' -13' ' ' HIS . . . . . 0.672 ' ND1' ' H ' ' C' ' -12' ' ' HIS . 16.7 t-80 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' -12' ' ' HIS . . . . . 0.672 ' H ' ' ND1' ' C' ' -13' ' ' HIS . 23.5 m80 -117.9 118.98 33.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.96 -73.08 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.389 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' -10' ' ' HIS . . . . . 0.503 ' O ' ' CD2' ' C' ' -8' ' ' HIS . 71.0 m80 -129.58 -12.55 4.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.656 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 53.86 22.07 3.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.65 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' -8' ' ' HIS . . . . . 0.503 ' CD2' ' O ' ' C' ' -10' ' ' HIS . 64.6 m170 -100.7 -2.71 31.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.6 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -62.17 -39.75 98.07 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . -174.49 -175.76 42.3 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.85 -56.4 17.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.886 0.374 . . . . 0.0 110.573 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 47.7 t -145.88 70.3 13.5 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.485 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.86 130.31 39.67 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.635 2.224 . . . . 0.0 111.865 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' -2' ' ' ARG . . . . . 0.644 ' HE ' HH12 ' C' ' 83' ' ' ARG . 53.2 ttm-85 -70.17 -38.86 75.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.417 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . 108.29 -121.05 6.17 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 70.6 m -154.64 85.11 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.711 0.291 . . . . 0.0 110.685 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mtt -109.92 93.71 4.64 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.116 0.484 . . . . 0.0 110.107 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.01 -28.75 69.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.555 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -58.81 -46.38 87.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.486 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.29 -41.3 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.575 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -58.89 -47.32 85.36 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.107 0.479 . . . . 0.0 110.591 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -66.31 -39.74 89.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.262 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.58 88.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.656 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.58 92.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.167 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.56 -41.26 92.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.25 0.548 . . . . 0.0 110.118 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -60.25 -35.43 75.47 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.441 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -91.25 10.16 28.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.55 -178.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.453 ' C ' ' CD1' ' C' ' 12' ' ' LEU . 0.7 OUTLIER -67.27 152.29 45.99 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 179.618 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.9 p -110.26 148.67 31.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.877 0.37 . . . . 0.0 110.607 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . 0.43 ' O ' ' OD1' ' C' ' 18' ' ' ASN . 98.8 mt-10 -68.18 -38.23 81.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.912 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -60.47 -45.25 94.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.502 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -68.3 -40.32 81.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.956 0.408 . . . . 0.0 110.393 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.9 -41.68 99.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' C' ' 14' ' ' GLU . 27.2 m120 -60.88 -42.31 97.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.802 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -45.8 86.84 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.001 0.429 . . . . 0.0 110.285 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.618 ' CD2' ' CZ ' ' C' ' 77' ' ' PHE . 87.4 t80 -62.79 -38.57 91.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.367 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -57.01 -46.53 82.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.409 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.88 -45.03 83.56 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.111 -0.635 . . . . 0.0 110.435 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.02 -24.97 67.65 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.033 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . 0.467 ' CE1' ' CZ ' ' C' ' 74' ' ' PHE . 85.4 t80 -55.69 -38.06 69.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.259 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -60.57 -44.06 96.61 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.607 -179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 91.4 mt -72.39 -39.72 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.739 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . 0.467 ' O ' ' OE2' ' C' ' 40' ' ' GLU . 0.5 OUTLIER -61.21 -28.56 69.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 -179.436 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 16.7 m -112.07 27.06 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 110.496 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.96 115.96 5.38 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.356 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.51 -3.18 87.27 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.3 96.51 10.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.177 0.513 . . . . 0.0 110.43 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -69.74 -16.92 63.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.363 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . 0.422 ' O ' ' OD1' ' C' ' 33' ' ' ASP . 48.4 t0 -65.44 -27.92 68.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.598 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.52 10.82 85.6 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.706 -0.957 . . . . 0.0 110.706 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 58.4 m -136.5 160.52 38.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.725 0.297 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 89.5 mt -86.85 114.9 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.361 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 85.5 p -109.48 -177.76 3.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.519 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.2 p -63.22 -37.4 87.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.206 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.2 -40.68 96.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.64 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . 0.467 ' OE2' ' O ' ' C' ' 27' ' ' PHE . 37.4 tp10 -64.03 -43.84 94.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.453 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.12 -41.4 94.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.3 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.65 -39.32 96.42 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.481 -1.047 . . . . 0.0 110.481 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.77 -44.22 97.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.961 0.41 . . . . 0.0 110.263 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 68.4 t -62.22 -44.04 98.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.132 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 26.2 mmt -65.02 -35.35 80.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.107 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 49.1 ttm-85 -56.19 -47.59 78.04 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 72.6 mtm -65.03 -38.21 90.15 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.513 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.39 -12.26 5.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.588 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.69 9.06 61.66 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -109.63 148.37 31.45 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -128.51 71.88 80.49 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.094 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -73.84 150.47 44.27 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.668 2.245 . . . . 0.0 112.032 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 69.4 p -81.06 153.81 72.32 Favored Pre-proline 0 C--N 1.324 -0.542 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.517 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.47 -30.81 87.29 Favored 'Trans proline' 0 N--CA 1.498 1.74 0 C-N-CA 121.866 1.711 . . . . 0.0 112.367 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.78 -47.46 86.24 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.366 -178.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' C' ' 57' ' ' LEU . 4.9 pt-20 -72.41 -37.33 68.7 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.321 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . 0.404 ' N ' ' CG ' ' C' ' 56' ' ' GLU . 85.6 mt -63.64 -42.11 98.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.753 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -65.67 -43.07 90.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.025 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -64.41 -41.37 96.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 26.3 ttt -62.79 -45.63 91.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.686 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' C' ' 65' ' ' ASP . 92.3 mt -65.6 -41.96 91.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.743 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -57.58 -43.51 84.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.5 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -62.99 -42.36 99.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.135 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 75.3 t -81.83 -12.84 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.792 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' C' ' 69' ' ' SER . 52.3 t0 -61.97 137.55 58.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.276 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . 0.523 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 8.8 tm-20 -88.95 -40.27 13.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.164 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.76 -1.14 28.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.19 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . 0.443 ' H ' ' CG ' ' C' ' 65' ' ' ASP . . . 66.35 22.02 70.8 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 69' ' ' SER . . . . . 0.535 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 99.9 p -72.0 -12.66 61.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.693 0.282 . . . . 0.0 110.799 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.12 5.34 89.76 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 58.2 p -131.0 164.25 25.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.614 0.245 . . . . 0.0 110.586 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 47.0 t -120.11 117.51 53.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.876 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -104.21 -169.65 1.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.508 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . 0.467 ' CZ ' ' CE1' ' C' ' 24' ' ' PHE . 29.7 m-85 -59.26 -42.99 92.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.026 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.38 -45.16 94.41 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.979 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -71.04 -28.95 64.75 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 121.181 0.515 . . . . 0.0 110.65 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . 0.618 ' CZ ' ' CD2' ' C' ' 20' ' ' PHE . 0.0 OUTLIER -64.11 -39.44 94.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.434 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 18.1 mt -59.86 -45.47 92.34 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.481 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -71.56 -30.09 37.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.14 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 66.6 ttp -68.34 -42.21 79.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.981 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 6.3 tpt -63.99 -51.15 65.65 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.025 0.441 . . . . 0.0 111.1 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 31.1 m -66.35 -30.84 51.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . 0.644 HH12 ' HE ' ' C' ' -2' ' ' ARG . 61.4 ttt85 -59.94 -45.17 93.48 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.036 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 84' ' ' 4J4 . . . . . 0.583 ' SG ' ' N ' ' C' ' 85' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 85' ' ' MET . . . . . 0.583 ' N ' ' SG ' ' C' ' 84' ' ' 4J4 . 34.8 mtt -62.8 -42.93 99.92 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.942 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.72 -40.4 96.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.811 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.87 -40.46 97.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.446 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.33 -39.52 94.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.443 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 70.7 m -61.3 -44.15 97.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -65.0 -42.8 94.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.951 0.405 . . . . 0.0 110.77 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 91' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -65.77 -23.63 66.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.695 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 24.0 tp -54.3 -36.21 63.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.731 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -62.92 -26.33 68.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.541 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -106.33 137.5 44.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.731 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 52.79 -161.08 0.11 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.405 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -103.06 -138.6 10.01 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -83.14 8.02 14.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.779 0.323 . . . . 0.0 110.261 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -52.84 123.53 11.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.269 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . 0.459 ' CG2' ' O ' ' C' ' 99' ' ' VAL . 14.8 p -173.37 25.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.478 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 5.4 tpp85 65.98 -78.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.392 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 87.3 mt -130.05 126.48 62.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.415 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 54.9 m -87.64 161.83 17.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.705 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.69 -41.18 94.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.5 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -62.17 -41.5 98.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.484 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.71 -41.02 98.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.633 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 106' ' ' MET . . . . . 0.434 ' C ' ' SD ' ' C' ' 106' ' ' MET . 15.2 tmm? -61.53 -44.71 96.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.544 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -47.59 81.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.348 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -62.41 -46.51 88.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.558 -179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.58 93.54 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.923 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.11 -47.81 72.94 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.63 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 111' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' C' ' 113' ' ' ALA . 43.0 tp -65.52 -45.14 84.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.381 -178.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . 61.36 -72.34 0.01 OUTLIER Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' C' ' 111' ' ' LEU . . . -63.3 164.36 9.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.379 . . . . 0.0 110.845 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -58.9 168.24 1.34 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.648 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -85.93 -170.95 3.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.382 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.45 154.16 6.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.89 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.43 112.89 24.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.709 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 72.4 m -61.26 -30.04 70.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.553 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 119' ' ' LEU . . . . . 0.451 ' O ' ' O ' ' C' ' 120' ' ' ASP . 37.0 mt -56.54 -34.69 67.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.468 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' C' ' 119' ' ' LEU . 92.1 m-20 -59.45 -125.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.818 0.342 . . . . 0.0 110.129 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 22.4 mt -70.16 142.45 52.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.841 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 12.4 mpt_? -69.23 145.13 53.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.369 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -116.58 149.09 40.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.645 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 55.3 m170 -81.73 79.72 8.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.339 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.33 129.01 37.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.556 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.64 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 39.5 m80 . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -68.91 145.49 53.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.371 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 44.0 m170 -98.76 5.74 47.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.556 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -103.87 132.61 49.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.483 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -127.82 100.01 5.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.414 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 46.05 -111.33 0.3 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.431 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . 67.29 36.89 90.32 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . -58.76 -31.34 67.48 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 11.8 mt 57.0 67.08 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.662 0.268 . . . . 0.0 110.767 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' -4' ' ' VAL . . . . . 0.435 ' CG1' ' O ' ' C' ' -4' ' ' VAL . 15.0 p -131.27 64.11 72.3 Favored Pre-proline 0 N--CA 1.454 -0.243 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.442 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -72.71 137.73 27.86 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.492 2.128 . . . . 0.0 112.297 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 13.0 mmp_? -91.18 -27.25 18.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.722 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . 156.61 -156.48 27.18 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 22.9 p -60.17 -162.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.985 0.421 . . . . 0.0 110.449 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.42 32.68 22.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.431 0.634 . . . . 0.0 110.681 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -58.46 -37.84 76.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.686 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -61.66 -45.34 94.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.861 0.362 . . . . 0.0 110.748 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . 0.423 HD13 HG21 ' C' ' 4' ' ' ILE . 0.1 OUTLIER -64.43 -44.17 97.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.559 -0.456 . . . . 0.0 109.995 179.549 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -60.51 -46.82 88.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.85 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -60.61 -39.11 86.95 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.57 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.05 -42.96 95.6 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.289 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.09 97.23 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.529 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.471 ' O ' ' O ' ' C' ' 12' ' ' LEU . 77.8 t -66.5 -40.95 87.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.009 0.433 . . . . 0.0 110.617 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -61.33 -29.41 69.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.984 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -91.74 -33.78 14.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.471 ' O ' ' O ' ' C' ' 9' ' ' VAL . 37.2 mt -100.29 142.64 31.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.084 0.468 . . . . 0.0 110.529 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 78.2 p -77.35 166.58 22.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.803 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -62.94 -36.21 82.68 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.086 0.47 . . . . 0.0 110.585 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.09 -44.06 95.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.164 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -63.61 -38.57 91.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.247 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.86 -47.18 68.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.009 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -61.94 -44.51 96.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -62.87 -38.3 90.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.378 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -59.59 -42.71 93.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.748 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . 0.5 ' NZ ' ' CE1' ' C' ' 74' ' ' PHE . 9.2 mmtm -60.68 -48.18 82.93 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.728 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.75 -41.62 78.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.835 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.44 -45.21 95.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.852 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -61.3 -45.94 92.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.587 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -57.74 -40.41 79.59 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.588 0.555 . . . . 0.0 110.618 -179.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.43 -42.31 95.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.009 0.433 . . . . 0.0 110.6 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . 0.537 ' CE2' ' HAC' ' C' ' 84' ' ' 4J4 . 2.6 m-85 -58.83 -43.11 90.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.347 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 35.5 m -87.91 18.99 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.91 0.385 . . . . 0.0 110.603 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 tp -70.02 121.44 17.42 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.18 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.09 20.32 73.09 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.1 127.9 34.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.989 0.424 . . . . 0.0 110.455 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -79.83 -29.47 40.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.765 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -102.56 6.15 39.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.732 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.2 1.25 89.92 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 37.8 t -152.8 146.22 24.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 tt -53.5 141.2 8.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.497 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 49.6 m -123.23 176.55 6.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.727 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 12.7 t -60.75 -36.68 79.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.758 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . 0.494 ' HG3' ' H ' ' C' ' 40' ' ' GLU . 0.0 OUTLIER -53.1 -48.46 67.77 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.213 0.53 . . . . 0.0 110.899 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . 0.494 ' H ' ' HG3' ' C' ' 39' ' ' LYS . 98.7 mt-10 -65.29 -40.73 94.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.091 0.472 . . . . 0.0 110.514 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.49 -39.53 84.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.375 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.5 -39.83 96.91 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -60.94 -40.36 92.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.0 0.428 . . . . 0.0 110.041 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 76.6 t -68.07 -40.56 83.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.534 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 23.4 mmt -60.98 -36.47 79.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.655 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -52.43 -36.66 54.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.393 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 8.7 mtt -63.59 -27.18 69.07 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.575 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 86.0 mt -85.67 3.08 42.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.468 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.21 3.98 86.82 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -98.97 127.07 44.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 110.542 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -136.96 60.4 28.75 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.323 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -71.72 160.34 48.36 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.932 2.421 . . . . 0.0 112.411 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.34 155.6 35.35 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.417 -179.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.28 -33.1 97.84 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.489 2.126 . . . . 0.0 112.058 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.93 -41.12 91.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.02 0.438 . . . . 0.0 110.377 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.73 -39.43 93.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.437 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.05 -41.23 97.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.575 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -65.58 -41.09 93.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.613 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -62.59 -42.25 99.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.238 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 93.0 mmm -63.54 -41.4 98.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.16 0.505 . . . . 0.0 110.603 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 7.7 mm -64.85 -42.51 95.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.952 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -57.71 -43.96 85.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.136 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -65.15 -42.24 93.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.939 0.399 . . . . 0.0 110.592 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 75.5 t -70.03 -39.74 77.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.809 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 52.2 t0 -51.29 143.22 11.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.428 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . 0.539 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 22.3 mm-40 -89.77 -42.03 11.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.058 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 55.2 p30 -102.73 -0.69 31.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.012 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.33 24.0 71.96 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 69' ' ' SER . . . . . 0.609 ' HG ' ' H ' ' C' ' 71' ' ' THR . 99.2 p -64.08 -19.85 65.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.837 0.351 . . . . 0.0 110.697 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.58 -8.82 78.33 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 71' ' ' THR . . . . . 0.609 ' H ' ' HG ' ' C' ' 69' ' ' SER . 76.3 p -131.7 163.8 27.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.453 0.168 . . . . 0.0 110.555 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 16.5 t -110.61 111.48 36.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.0 0.429 . . . . 0.0 110.149 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . 0.405 ' CG ' ' H ' ' C' ' 74' ' ' PHE . 33.0 t0 -87.54 -178.48 6.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.596 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . 0.5 ' CE1' ' NZ ' ' C' ' 21' ' ' LYS . 47.7 t80 -58.61 -49.6 76.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.153 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -65.09 -48.54 73.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.97 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -63.62 -41.05 98.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.484 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -60.04 -49.11 78.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.059 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.29 -46.14 91.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.999 0.428 . . . . 0.0 110.225 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 56.2 t -66.19 -40.47 87.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.397 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 61.9 ttp -57.26 -48.19 79.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.122 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 27.6 ttt -62.2 -44.31 96.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.867 0.365 . . . . 0.0 110.354 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 64.8 t -63.67 -43.28 98.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.618 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.8 -47.54 85.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.701 -179.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 84' ' ' 4J4 . . . . . 0.537 ' HAC' ' CE2' ' C' ' 27' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 55.1 ttm -61.05 -44.98 96.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.351 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.85 -39.99 87.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.83 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.51 -42.81 97.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.264 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -65.94 -41.36 91.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.523 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 74.2 m -66.69 -42.5 86.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.815 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -63.66 -43.08 97.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.314 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 91' ' ' ASN . . . . . 0.537 ' CG ' ' H ' ' C' ' 92' ' ' LEU . 53.3 t30 -105.6 -158.93 0.68 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.289 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 92' ' ' LEU . . . . . 0.537 ' H ' ' CG ' ' C' ' 91' ' ' ASN . 0.4 OUTLIER 48.49 78.39 0.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.102 0.477 . . . . 0.0 110.471 179.631 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -58.2 -15.44 9.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.35 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -83.64 100.72 11.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.933 0.397 . . . . 0.0 110.383 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -70.67 -20.09 62.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.382 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.01 -46.53 94.39 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.351 -0.699 . . . . 0.0 111.351 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' C' ' 99' ' ' VAL . 45.5 mtp180 -84.43 -35.77 22.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.584 0.23 . . . . 0.0 110.802 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -41.35 96.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.392 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' C' ' 97' ' ' ARG . 10.9 t 45.91 64.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.534 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -58.33 -23.11 55.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.33 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 10.5 tt -129.16 124.3 60.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.06 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 67.9 m -65.24 149.35 50.1 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.501 0.667 . . . . 0.0 111.083 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.21 -36.04 78.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.299 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -58.56 -41.62 86.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.004 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.46 -40.46 97.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.218 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 78.7 mtp -62.85 -43.85 97.7 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.566 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 51.7 tpp -68.77 -32.59 72.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.328 0.585 . . . . 0.0 109.967 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . 0.632 ' O ' ' N ' ' C' ' 112' ' ' GLY . 37.9 tp60 -59.59 -50.33 74.29 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.858 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.61 -38.98 92.31 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.849 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.81 -37.43 67.54 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.709 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.18 -51.92 2.41 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.021 0.439 . . . . 0.0 111.361 -179.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 112' ' ' GLY . . . . . 0.632 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . 73.95 -55.42 2.22 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . 52.16 175.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.857 0.361 . . . . 0.0 110.9 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -138.59 162.18 35.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.363 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.63 135.85 54.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.277 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -138.17 -55.77 0.65 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.928 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -62.61 -39.65 94.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.425 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 74.2 m -62.41 -41.72 98.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.691 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.65 -41.08 98.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.817 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -104.14 87.82 2.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.251 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . 0.44 ' CG ' ' H ' ' C' ' 122' ' ' ARG . 3.4 tp -145.74 -144.17 0.15 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.457 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . 0.44 ' H ' ' CG ' ' C' ' 121' ' ' LEU . 5.5 tpt180 -117.4 136.26 53.3 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.722 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.1 -41.07 97.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.053 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -60.1 141.96 54.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.824 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 9.2 mp -70.16 127.16 31.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.266 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.448 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 61.72 37.44 15.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.496 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -146.43 -46.41 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.634 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -86.99 131.67 34.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.785 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -100.84 -4.76 27.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.492 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -94.69 152.17 18.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.511 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . 70.43 32.85 67.98 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . -55.83 147.66 29.06 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 87.7 mt -114.68 148.57 38.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.724 0.297 . . . . 0.0 110.451 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 17.9 t -115.62 95.36 43.26 Favored Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.808 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -75.19 172.66 15.92 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 122.753 2.302 . . . . 0.0 112.514 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 34.5 ttt-85 -57.71 -38.43 75.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.09 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . 109.68 158.05 17.4 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 58.0 m -157.51 -107.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.911 0.386 . . . . 0.0 110.442 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -41.27 95.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.428 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.85 -39.2 91.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.735 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -61.85 -43.3 99.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 85.2 mt -61.15 -45.51 98.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.231 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -63.63 -41.39 98.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.688 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -63.33 -42.31 98.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.72 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.73 -40.82 97.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.757 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.72 -42.19 98.62 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.949 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.445 ' O ' ' O ' ' C' ' 12' ' ' LEU . 56.4 t -64.16 -41.65 93.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.688 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -61.71 -40.25 94.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.979 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -85.11 -38.38 19.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.416 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.445 ' O ' ' O ' ' C' ' 9' ' ' VAL . 44.4 mt -114.8 142.25 46.79 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.983 0.42 . . . . 0.0 110.633 -179.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 63.0 p -80.12 167.03 20.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.406 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -60.05 -37.03 78.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.773 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -62.24 -42.56 99.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.54 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . 0.483 ' OE1' ' N ' ' C' ' 16' ' ' GLN . 0.0 OUTLIER -68.18 -39.62 82.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.669 179.669 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -59.05 -44.87 91.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.463 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -59.83 -44.86 93.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.45 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.65 -39.94 95.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.732 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -64.17 -40.4 96.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.037 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -61.01 -42.76 99.08 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.711 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.19 -39.69 86.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.768 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.16 -33.12 71.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.856 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . 0.417 ' CE2' ' CG2' ' C' ' 28' ' ' VAL . 86.3 t80 -55.16 -38.46 68.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.4 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.79 -40.63 93.33 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.048 0.451 . . . . 0.0 110.822 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 93.4 mt -61.26 -44.72 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.251 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -68.82 -27.65 66.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . 0.417 ' CG2' ' CE2' ' C' ' 24' ' ' PHE . 77.9 t -70.84 -25.75 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.797 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . 0.472 ' CD1' ' C ' ' C' ' 29' ' ' LEU . 0.7 OUTLIER -61.14 143.52 55.34 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.142 0.496 . . . . 0.0 110.624 179.467 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.79 -0.94 75.65 Favored Glycine 0 CA--C 1.519 0.299 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.94 97.2 5.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.974 0.416 . . . . 0.0 110.561 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . 0.426 ' CD ' ' N ' ' C' ' 32' ' ' GLU . 1.0 OUTLIER -68.36 -25.3 65.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.587 179.546 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -65.03 -21.02 66.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.478 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.3 9.72 81.41 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 47.5 t -139.92 149.07 42.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.899 0.38 . . . . 0.0 110.331 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . 0.424 ' N ' ' CD1' ' C' ' 36' ' ' ILE . 1.3 mm -63.57 113.3 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.051 -178.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 59.8 p -87.27 173.14 9.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.719 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 53.3 p -64.94 -35.28 80.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.517 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -63.69 -41.92 98.08 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.087 0.47 . . . . 0.0 110.559 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -61.49 -43.49 98.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.652 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.68 -38.67 82.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.412 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.49 -44.73 96.48 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -66.1 -40.25 90.59 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.299 0.571 . . . . 0.0 110.452 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.06 -41.77 94.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.361 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.4 mmt -60.57 -41.21 94.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.7 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -59.18 -41.42 88.44 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.328 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 25.3 mtm -62.77 -38.2 89.67 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.066 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.91 -8.49 44.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.597 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.2 5.83 72.3 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -118.35 154.01 33.07 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.942 0.401 . . . . 0.0 110.295 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -140.22 72.08 32.96 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -63.51 151.14 86.42 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 123.259 2.639 . . . . 0.0 111.955 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 60.7 p -64.2 151.01 91.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.898 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_exo -49.52 -36.57 40.22 Favored 'Trans proline' 0 N--CA 1.5 1.895 0 C-N-CA 122.387 2.058 . . . . 0.0 112.3 179.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -69.85 -38.39 76.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.073 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -61.04 -50.73 72.13 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 pp -71.68 -40.07 69.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.08 0.467 . . . . 0.0 110.657 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -61.35 -43.4 98.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.269 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -64.01 -41.53 97.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.541 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 2.4 ttt -59.63 -45.46 91.9 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.487 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.22 -40.59 89.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.268 0.556 . . . . 0.0 110.458 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -64.94 -42.36 94.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.911 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.86 -46.67 83.96 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.945 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 33.9 m -74.3 -20.47 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.744 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.505 ' OD2' ' N ' ' C' ' 70' ' ' GLY . 6.2 t0 -43.37 124.76 3.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.887 0.375 . . . . 0.0 110.247 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -84.78 -51.4 6.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.163 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 59.6 p30 -94.59 -0.76 54.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.905 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.24 16.92 69.61 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 97.4 p -70.18 -16.87 63.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.849 0.357 . . . . 0.0 110.86 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . 0.505 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 92.98 -4.51 74.99 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 68.8 p -132.66 166.26 22.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.735 0.302 . . . . 0.0 110.593 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 12.7 m -113.8 115.92 51.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.328 0.585 . . . . 0.0 110.844 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -74.59 -173.55 1.82 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.415 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -58.99 -46.26 88.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.435 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -65.65 -41.05 93.02 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.489 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.41 -39.42 94.44 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.418 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -60.64 -48.83 80.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.92 0.39 . . . . 0.0 111.153 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 4.4 tp -59.41 -62.06 2.16 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.296 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 15.0 p -53.74 -34.02 24.04 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.392 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 49.6 mmm -63.01 -40.7 98.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.625 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -56.34 17.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.105 0.478 . . . . 0.0 111.317 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 28.1 m -61.64 -29.69 46.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.153 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 80.1 ttt-85 -60.83 -45.14 95.62 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.272 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.42 -38.64 91.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.708 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . 0.412 ' O ' ' OG ' ' C' ' 89' ' ' SER . 1.3 tppt? -61.95 -42.58 99.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.29 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.17 -40.65 90.69 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.279 0.562 . . . . 0.0 110.599 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -62.39 -40.84 97.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.044 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 89' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' C' ' 86' ' ' LYS . 89.2 p -66.82 -27.35 67.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.748 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -62.19 -48.32 80.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.144 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 91' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -80.9 -24.11 38.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 2.3 tp 62.12 165.41 0.1 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.531 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 93' ' ' TYR . . . . . 0.406 ' O ' ' C ' ' C' ' 94' ' ' PHE . 0.5 OUTLIER -54.89 -36.8 65.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.682 179.365 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 94' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' C' ' 93' ' ' TYR . 0.2 OUTLIER -39.0 -37.5 0.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.516 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -136.07 114.53 11.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.326 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -133.29 110.29 0.89 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -123.44 20.23 9.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.877 0.37 . . . . 0.0 110.715 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 98' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' C' ' 99' ' ' VAL . 0.7 OUTLIER -124.13 129.54 51.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.25 179.841 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' C' ' 98' ' ' ARG . 33.8 m 35.71 -155.82 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 123.523 0.514 . . . . 0.0 110.749 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -153.69 -12.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.458 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 27.5 mm -104.81 116.61 48.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.099 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 37.1 t -71.13 143.93 50.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.803 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.6 -38.47 91.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.748 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -57.63 -45.2 85.72 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.938 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.22 -40.24 95.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.832 0.349 . . . . 0.0 110.351 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 52.1 ttm -60.14 -46.18 90.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.015 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 11.0 ttm -60.09 -45.47 92.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -61.62 -45.01 95.88 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.695 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.55 -40.19 95.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.966 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.91 -48.88 79.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.664 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 2.0 tt -78.33 -32.83 49.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.821 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 112' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' C' ' 113' ' ' ALA . . . -59.74 -42.6 98.05 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -178.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' C' ' 112' ' ' GLY . . . 37.1 -114.44 0.11 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.751 0.31 . . . . 0.0 110.418 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -111.06 -2.43 15.89 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.71 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . 46.17 -170.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.392 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 116' ' ' LYS . . . . . 0.558 ' CD ' ' N ' ' C' ' 116' ' ' LYS . 0.0 OUTLIER -129.74 136.99 50.31 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.336 -179.671 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -138.3 17.86 2.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.548 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 66.8 m -83.88 -44.32 14.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.037 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 63.4 mt -113.79 -34.38 5.49 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 30.4 t0 58.91 51.05 7.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.512 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.62 168.22 3.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.615 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -64.08 149.05 48.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.237 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . 0.54 ' O ' ' ND1' ' C' ' 124' ' ' HIS . . . -72.24 167.47 20.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.471 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 124' ' ' HIS . . . . . 0.54 ' ND1' ' O ' ' C' ' 123' ' ' ALA . 56.8 p-80 41.94 -165.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.652 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.07 171.86 15.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.483 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.489 179.945 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 48.3 m80 49.21 -176.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.668 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -79.54 153.59 29.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.609 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -70.21 175.14 4.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.293 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' -9' ' ' HIS . . . . . 0.705 ' HD1' ' H ' ' C' ' -8' ' ' HIS . 1.1 t-80 -78.32 -169.54 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.434 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' -8' ' ' HIS . . . . . 0.705 ' H ' ' HD1' ' C' ' -9' ' ' HIS . 20.8 m-70 69.75 -37.28 0.37 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.574 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' -7' ' ' GLY . . . . . 0.546 ' H ' ' C ' ' C' ' -9' ' ' HIS . . . -62.26 -43.72 98.7 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.106 -0.797 . . . . 0.0 111.106 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . 86.46 160.75 34.83 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -98.52 93.03 5.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.841 0.353 . . . . 0.0 110.523 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' -4' ' ' VAL . . . . . 0.425 ' CG1' ' O ' ' C' ' -4' ' ' VAL . 14.5 p -135.16 67.53 68.79 Favored Pre-proline 0 C--O 1.233 0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.7 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -69.29 145.59 60.37 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.74 2.293 . . . . 0.0 111.746 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -76.92 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.601 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' -1' ' ' GLY . . . . . 0.408 ' O ' ' CB ' ' C' ' 0' ' ' SER . . . 60.57 -134.5 49.84 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 0' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' C' ' -1' ' ' GLY . 0.2 OUTLIER 167.51 3.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.777 0.322 . . . . 0.0 110.509 -179.748 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 35.2 mmt -62.32 -41.32 98.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.523 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.13 -39.57 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.949 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -60.9 -45.21 95.53 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.635 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.47 -44.5 98.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.483 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -59.9 -47.22 86.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.72 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -59.74 -40.98 89.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.026 0.441 . . . . 0.0 110.712 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.17 -39.29 89.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.657 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.66 -49.94 74.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.156 -178.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.24 -34.21 68.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -61.74 -39.57 92.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.478 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -86.5 -40.28 15.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.673 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt -80.03 150.29 30.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.635 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 68.7 p -102.46 170.41 8.07 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.601 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.47 -36.43 75.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.285 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -59.89 -40.13 87.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.58 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -62.95 -42.57 99.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.513 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 5.4 tptm -62.88 -42.43 99.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.485 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -60.03 -39.67 86.7 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.242 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . 0.544 ' OE1' ' N ' ' C' ' 19' ' ' GLU . 0.0 OUTLIER -59.66 -48.07 83.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.668 179.857 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -71.08 -27.05 63.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.578 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -60.07 -42.07 93.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.337 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.87 -43.2 94.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.613 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.15 -38.76 91.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.733 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -57.4 -39.65 76.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.541 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -60.66 -38.93 86.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.161 0.505 . . . . 0.0 110.396 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . 0.403 HD12 HG21 ' C' ' 26' ' ' ILE . 96.7 mt -72.28 -39.43 63.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.242 0.544 . . . . 0.0 110.81 179.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . 0.535 ' C ' ' H ' ' C' ' 29' ' ' LEU . 2.4 m-85 -56.5 -41.71 77.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.993 -178.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 27.3 m -73.4 28.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . 0.535 ' H ' ' C ' ' C' ' 27' ' ' PHE . 3.4 pp -51.76 128.78 24.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.394 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.38 -6.06 58.4 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -108.7 99.56 8.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.811 0.338 . . . . 0.0 110.54 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -70.91 -27.38 63.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.395 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -65.45 -26.83 68.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.522 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.15 6.32 60.23 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 56.0 m -96.76 148.97 22.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 110.499 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 89.8 mt -103.74 119.72 52.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 37' ' ' SER . . . . . 0.436 ' OG ' ' OE1' ' C' ' 40' ' ' GLU . 83.1 p -83.3 167.28 17.76 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.547 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 81.1 p -64.04 -30.62 71.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.293 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.19 -42.27 99.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.442 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . 0.436 ' OE1' ' OG ' ' C' ' 37' ' ' SER . 2.4 mp0 -63.8 -46.82 83.42 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.733 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.2 -38.67 92.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.833 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.26 -40.72 97.75 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.85 -41.05 97.88 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.73 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 80.5 t -62.63 -48.64 87.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.077 0.465 . . . . 0.0 110.455 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 66.1 mtm -64.23 -40.12 95.39 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.057 179.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 11.8 mtm180 -53.67 -45.07 70.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.491 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 78.5 mtm -66.21 -32.72 74.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.348 178.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 8.0 tp -57.28 -21.98 38.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.392 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.89 9.99 41.35 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -107.15 173.7 6.21 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.268 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -113.76 96.65 41.73 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -78.03 154.46 29.39 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 C-N-CA 122.856 2.371 . . . . 0.0 112.077 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.22 124.9 21.59 Favored Pre-proline 0 N--CA 1.448 -0.564 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.305 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -49.95 -35.45 40.77 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.637 2.224 . . . . 0.0 111.895 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -67.66 -47.21 70.19 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.848 0.356 . . . . 0.0 110.644 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -68.66 -39.3 80.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.603 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 mt -59.58 -48.34 82.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? -63.74 -42.11 97.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.691 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -65.16 -44.19 89.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.412 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 16.6 tpt -63.73 -44.79 92.51 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.5 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 82.3 mt -62.94 -39.05 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.442 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -57.37 -44.47 84.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.407 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.18 -41.36 97.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.575 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 69.9 t -71.25 -38.81 71.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.348 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.429 ' OD2' ' N ' ' C' ' 70' ' ' GLY . 0.1 OUTLIER -38.71 105.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.101 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -89.0 -42.46 11.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.523 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.1 p30 -93.63 -1.06 55.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.831 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.73 19.55 69.43 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 96.6 p -67.03 -20.87 65.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.348 . . . . 0.0 110.626 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . 0.429 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 92.24 -5.59 78.18 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 71' ' ' THR . . . . . 0.427 ' O ' ' OE1' ' C' ' 76' ' ' GLU . 80.7 p -131.61 165.54 23.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.751 0.31 . . . . 0.0 110.723 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 3.5 m -87.62 104.05 14.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.644 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.44 -173.52 3.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.525 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -59.82 -46.91 87.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.803 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 30.3 p-10 -69.89 -44.95 68.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.721 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . 0.45 ' N ' ' OD1' ' C' ' 75' ' ' ASP . 98.6 mt-10 -63.02 -38.88 92.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.597 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -60.04 -45.55 92.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 6.7 tp -58.62 -43.15 89.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.555 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.21 -42.46 90.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.746 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 24.4 tpp -58.32 -42.98 87.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.193 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 9.9 ttt -77.5 -28.77 52.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.828 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 51.6 t -60.12 -47.29 92.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.177 -179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 5.1 ptm85 -62.03 -35.49 78.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.03 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 78.5 mtm -63.17 -38.04 89.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.614 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -59.15 -46.86 87.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.294 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -67.74 -36.87 81.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.132 0.491 . . . . 0.0 110.354 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -59.91 -34.4 73.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.569 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 89' ' ' SER . . . . . 0.542 ' O ' ' ND2' ' C' ' 91' ' ' ASN . 44.0 t -57.97 -44.79 87.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.463 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . 0.447 ' O ' ' OD1' ' C' ' 91' ' ' ASN . 76.2 mm-40 -67.44 -35.73 79.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.372 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 91' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' C' ' 89' ' ' SER . 7.5 p30 39.64 90.8 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.676 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.67 158.68 35.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.643 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -84.9 -168.21 2.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.551 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 56.84 -105.89 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.842 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -106.32 33.56 3.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.628 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.75 -105.22 0.3 Allowed Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . 0.476 ' CG ' ' H ' ' C' ' 98' ' ' ARG . 12.6 ttm180 -64.2 -132.08 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.745 0.307 . . . . 0.0 110.549 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 98' ' ' ARG . . . . . 0.476 ' H ' ' CG ' ' C' ' 97' ' ' ARG . 68.7 ttp85 59.22 83.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.762 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 13.7 p -117.32 143.89 26.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.38 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 92.2 mtm-85 -62.51 -41.28 98.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.523 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 77.3 mt -115.09 118.08 57.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.557 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 85.5 p -83.39 169.56 15.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.657 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.22 98.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.474 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -64.91 -42.18 94.95 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.512 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.29 -39.34 90.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.532 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 106' ' ' MET . . . . . 0.401 ' SD ' ' C ' ' C' ' 106' ' ' MET . 15.3 tmm? -60.97 -46.0 92.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.672 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 98.1 mtp -62.81 -41.51 99.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.761 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -63.06 -45.4 92.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.623 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.84 -40.01 91.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.746 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 6.7 tp -61.03 -44.83 96.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.461 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 12.2 tp -64.71 -41.54 95.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.341 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.48 158.35 32.64 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -115.17 125.56 53.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.728 0.299 . . . . 0.0 110.501 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 55.99 -160.88 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.379 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.21 83.02 2.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.575 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 6.6 tptm -146.58 146.92 30.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.497 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' C' ' 120' ' ' ASP . 97.7 mt-10 -91.88 112.65 24.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.639 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 72.2 m -60.27 -37.79 81.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.441 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 7.2 mp -43.88 -35.28 1.91 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.533 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' C' ' 117' ' ' GLU . 0.2 OUTLIER -129.01 152.7 48.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.389 179.716 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . 0.415 ' CD2' ' N ' ' C' ' 121' ' ' LEU . 0.1 OUTLIER -123.07 -21.49 5.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.403 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -61.09 -42.92 99.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.798 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . 179.07 145.11 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.508 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 30.6 p80 -70.42 -23.48 62.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.696 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 4.2 tp 62.85 127.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.422 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 60.6 tttm . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.532 -179.881 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -64.65 141.06 58.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.318 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -126.86 124.03 38.66 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.526 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -82.49 155.94 24.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.391 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -72.47 153.29 41.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.709 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -146.89 144.17 29.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.523 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -91.44 -124.38 3.13 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . 107.93 7.27 31.47 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 4.3 mp 58.05 98.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.758 0.313 . . . . 0.0 110.718 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 14.8 t -135.6 63.98 55.97 Favored Pre-proline 0 C--O 1.234 0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.549 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -74.46 54.3 3.33 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.756 2.304 . . . . 0.0 111.964 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -160.0 -13.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.555 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . -68.42 151.51 51.76 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 13.3 t -110.27 -141.92 0.38 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.711 0.291 . . . . 0.0 110.407 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.2 ptp -111.23 57.2 0.63 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.294 0.569 . . . . 0.0 110.688 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -57.41 -35.15 69.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.498 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -58.19 -47.29 83.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.89 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 84.8 mt -62.51 -42.87 97.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.573 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -61.56 -41.12 96.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.864 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 46.5 mmtt -61.4 -41.82 97.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.118 0.485 . . . . 0.0 110.671 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.35 94.09 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.945 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.5 -52.0 67.49 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.289 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.72 -33.43 63.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.166 0.508 . . . . 0.0 110.326 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.16 -32.09 67.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -82.1 6.42 16.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.059 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.438 ' CD1' ' C ' ' C' ' 12' ' ' LEU . 4.3 pp -50.49 169.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.442 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 75.7 p -119.2 156.13 30.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.31 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.05 -39.54 92.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.488 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -61.3 -43.83 98.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.164 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -64.62 -41.02 96.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.598 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -61.11 -44.32 97.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.828 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -60.28 -44.12 95.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.63 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.52 -43.92 95.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.422 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -65.63 -37.0 85.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.556 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -60.33 -45.2 94.28 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.697 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.1 -45.66 87.65 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.41 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . 0.444 ' O ' HG13 ' C' ' 26' ' ' ILE . . . -65.29 -35.85 82.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.487 0.661 . . . . 0.0 110.036 179.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -70.02 -38.86 76.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.775 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -60.0 -51.2 70.66 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.973 0.416 . . . . 0.0 111.482 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . 0.444 HG13 ' O ' ' C' ' 23' ' ' ALA . 1.2 pt -64.82 -33.37 62.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.172 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . 0.484 ' CE1' ' HAC' ' C' ' 84' ' ' 4J4 . 0.8 OUTLIER -71.74 -30.26 65.41 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 120.771 0.319 . . . . 0.0 110.73 179.136 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 53.5 t -74.43 -25.82 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt -50.95 130.34 25.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.698 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.55 -10.59 64.87 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.01 135.94 33.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 110.66 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -80.21 -37.8 32.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -88.75 -7.42 56.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.83 4.57 90.28 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 41.5 m -112.28 155.85 23.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.821 0.344 . . . . 0.0 110.483 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 83.3 mt -62.5 123.07 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.349 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 25.4 m -124.68 179.52 4.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.692 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.7 p -64.89 -28.5 69.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.642 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -61.18 -50.58 72.56 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -66.9 -40.19 87.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.583 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 2.9 mt -63.71 -42.01 98.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.201 0.524 . . . . 0.0 110.641 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.93 -41.61 99.67 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -59.18 -50.69 73.06 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.568 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 6.3 p -67.27 -37.26 78.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.822 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 49.5 mtt -61.03 -47.29 87.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.94 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 35.1 mtm180 -65.25 -38.49 90.51 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.747 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 47' ' ' MET . . . . . 0.568 ' C ' ' H ' ' C' ' 49' ' ' GLY . 62.4 ttp -58.56 -37.9 76.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.51 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 22.9 mt -67.11 13.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . 0.568 ' H ' ' C ' ' C' ' 47' ' ' MET . . . 74.84 42.2 31.6 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -126.14 164.08 21.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.95 0.405 . . . . 0.0 110.523 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -141.23 61.74 14.62 Favored Pre-proline 0 C--N 1.326 -0.421 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.712 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.05 152.51 28.03 Favored 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.795 2.33 . . . . 0.0 112.311 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.77 155.62 75.54 Favored Pre-proline 0 C--N 1.324 -0.503 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -50.26 -43.45 43.35 Favored 'Trans proline' 0 N--CA 1.498 1.767 0 C-N-CA 122.14 1.893 . . . . 0.0 112.181 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -72.63 -33.94 66.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.076 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -58.85 -55.06 40.02 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.426 -178.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.56 -35.93 79.97 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.201 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -58.65 -40.3 83.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.995 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -70.97 -38.08 72.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.435 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 96.5 mtp -60.68 -46.05 91.83 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 13.7 tt -68.12 -34.0 64.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.253 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -60.78 -47.85 84.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.621 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.14 -42.76 83.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.637 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' C' ' 65' ' ' ASP . 55.1 t -62.85 -38.74 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.551 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' C' ' 68' ' ' GLY . 11.0 t0 -34.92 146.04 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 O-C-N 123.595 0.559 . . . . 0.0 110.646 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . 0.446 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 17.5 tt0 -82.02 -51.22 8.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.488 -178.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 56.2 p30 -102.89 4.75 37.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.087 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' C' ' 65' ' ' ASP . . . 71.82 19.27 78.04 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 69' ' ' SER . . . . . 0.573 ' HG ' ' H ' ' C' ' 71' ' ' THR . 99.4 p -69.07 -16.43 63.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.714 0.293 . . . . 0.0 110.652 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . 0.425 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 83.42 1.32 90.27 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 71' ' ' THR . . . . . 0.573 ' H ' ' HG ' ' C' ' 69' ' ' SER . 11.6 m -139.37 140.4 37.45 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 96.3 t -104.6 123.31 58.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.532 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -97.34 175.98 6.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.769 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -58.36 -49.93 75.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.605 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 36.5 p-10 -64.86 -42.46 94.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.584 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . 0.494 ' N ' ' OD1' ' C' ' 75' ' ' ASP . 87.4 tt0 -64.87 -36.42 84.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.495 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -58.88 -47.78 83.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.379 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 6.9 mp -60.48 -47.26 86.92 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.741 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.76 -44.67 99.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.088 0.47 . . . . 0.0 110.249 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 80' ' ' MET . . . . . 0.415 ' SD ' ' C ' ' C' ' 80' ' ' MET . 18.5 tmm? -60.77 -42.87 98.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.642 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -60.99 2.59 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.692 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 27.0 m -60.58 -28.13 41.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.027 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' C' ' 87' ' ' ASP . 18.3 ttp180 -61.88 -40.46 95.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.453 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 84' ' ' 4J4 . . . . . 0.484 ' HAC' ' CE1' ' C' ' 27' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 32.2 mtm -67.24 -42.54 83.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.35 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -69.72 -19.36 63.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.106 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' C' ' 83' ' ' ARG . 0.0 OUTLIER -55.88 -29.01 59.29 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' C' ' 92' ' ' LEU . 95.6 m-20 -70.4 -40.09 74.11 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.989 0.424 . . . . 0.0 110.749 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 99.2 p -68.8 -26.03 64.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.004 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.14 -42.97 99.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.994 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 91' ' ' ASN . . . . . 0.444 ' O ' ' O ' ' C' ' 92' ' ' LEU . 16.9 p-10 -116.16 5.2 13.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.476 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 92' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' C' ' 88' ' ' ASP . 16.4 mt 46.99 -177.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.677 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 67.39 124.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.655 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -74.11 160.06 31.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.771 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 95' ' ' GLN . . . . . 0.403 ' NE2' ' OD1' ' C' ' 88' ' ' ASP . 11.6 pm0 -136.15 -166.11 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.704 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.2 157.26 4.79 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' C' ' 99' ' ' VAL . 7.6 tpt180 -50.38 -54.17 23.71 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.574 -178.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 65.34 -55.94 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' C' ' 97' ' ' ARG . 3.1 m -89.95 133.76 30.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.588 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -109.93 -16.05 13.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.647 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 30.0 pt -122.06 148.94 25.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.684 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 75.7 m -92.66 160.08 15.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.573 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.66 90.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.66 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -62.91 -39.2 93.81 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 121.197 0.523 . . . . 0.0 110.31 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.54 -38.76 74.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.099 0.476 . . . . 0.0 110.839 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 28.6 ttt -60.99 -48.92 79.58 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.836 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 107' ' ' MET . . . . . 0.461 ' C ' ' SD ' ' C' ' 107' ' ' MET . 1.3 ppp? -66.55 -38.09 86.37 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.44 -179.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' C' ' 113' ' ' ALA . 90.2 mt-30 -64.63 -42.05 95.74 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.855 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.31 -42.43 99.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.754 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.8 -38.63 91.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.622 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.55 -0.81 57.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.101 0.476 . . . . 0.0 110.657 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . 70.72 16.87 74.56 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . 65.26 26.27 12.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.603 0.24 . . . . 0.0 110.467 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 29.7 ttp85 -69.16 128.95 38.44 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.153 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -167.88 -142.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.899 0.38 . . . . 0.0 110.561 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -60.21 -39.87 88.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.045 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . 0.458 ' O ' ' OD1' ' C' ' 120' ' ' ASP . 97.9 mt-10 -57.8 -38.51 75.64 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -179.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 66.1 m -72.61 -42.06 64.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.869 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.56 -41.86 98.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.29 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . 0.458 ' OD1' ' O ' ' C' ' 117' ' ' GLU . 85.1 m-20 54.85 13.75 0.78 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.831 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 1.1 mp 43.9 38.96 2.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.503 0.668 . . . . 0.0 110.694 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 46.9 mmm-85 47.59 33.4 2.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.338 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -112.45 138.05 49.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.378 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -90.41 94.31 9.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.596 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 17.8 mt -118.07 109.84 16.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.785 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 17.6 tttm . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.468 179.822 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.888 0.375 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 8' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' C' ' 12' ' ' LEU . . . -62.51 -41.53 98.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.422 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.462 ' O ' ' O ' ' C' ' 12' ' ' LEU . 53.0 t -63.21 -42.84 97.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.989 0.423 . . . . 0.0 110.717 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -63.81 -39.04 93.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.06 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -86.65 -31.02 21.31 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.264 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' C' ' 8' ' ' ALA . 39.6 mt -112.82 134.7 54.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.994 0.426 . . . . 0.0 110.578 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 69.2 p -85.82 171.75 11.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.49 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -60.22 -44.61 95.04 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.474 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.63 -40.62 92.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.146 0.498 . . . . 0.0 110.139 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -65.3 -38.86 91.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.225 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -59.41 -42.75 92.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.997 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -62.02 -40.44 95.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.007 0.432 . . . . 0.0 110.05 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -63.22 -40.13 96.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.946 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -57.29 -46.23 83.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.459 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.19 -39.98 88.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.511 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.19 -43.31 99.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 110.331 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.6 -40.61 97.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.519 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' PHE . . . . . 0.806 ' O ' HG23 ' C' ' 28' ' ' VAL . 81.3 t80 -60.41 -44.04 96.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.434 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -59.74 -41.91 92.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.533 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.58 -44.14 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.054 0.455 . . . . 0.0 110.329 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' PHE . . . . . 0.447 ' O ' ' OE1' ' C' ' 40' ' ' GLU . 8.1 m-85 -66.98 -30.98 71.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.387 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.806 HG23 ' O ' ' C' ' 24' ' ' PHE . 95.1 t -71.69 -25.33 24.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.35 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 mt -67.51 126.91 30.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.519 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.21 -1.82 86.5 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.33 123.86 18.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 110.366 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -66.13 -43.18 87.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 54.4 p-10 -107.72 12.38 27.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.71 -4.96 85.82 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 56.8 m -128.79 151.03 50.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.848 0.356 . . . . 0.0 110.602 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 11.1 tt -42.05 138.65 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.448 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 15.9 t -141.0 -166.75 2.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.478 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.0 p -67.16 -38.32 85.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.403 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -66.73 -42.05 86.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.723 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' C' ' 27' ' ' PHE . 9.6 tp10 -65.11 -49.69 69.0 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.285 0.564 . . . . 0.0 110.823 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 41' ' ' LEU . . . . . 0.402 ' O ' HG12 ' C' ' 44' ' ' VAL . 27.2 tp -67.21 -39.28 86.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.699 0.761 . . . . 0.0 109.411 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.87 -33.89 88.44 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -59.92 -48.91 79.77 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.151 0.501 . . . . 0.0 110.677 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 44' ' ' VAL . . . . . 0.402 HG12 ' O ' ' C' ' 41' ' ' LEU . 3.4 p -66.14 -33.09 61.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.481 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.0 mmt -63.34 -41.38 98.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.648 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 mtp-105 -62.49 -40.92 98.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.083 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 27.0 ttp -61.56 -41.25 97.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.675 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 90.8 mt -67.35 -12.36 59.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.426 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.9 7.43 57.56 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -98.94 148.95 23.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.65 0.262 . . . . 0.0 110.363 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -132.34 70.93 79.83 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.181 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -72.77 147.34 44.49 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.711 2.274 . . . . 0.0 112.527 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 74.2 p -72.66 152.6 91.52 Favored Pre-proline 0 N--CA 1.45 -0.466 0 C-N-CA 120.117 -0.633 . . . . 0.0 111.006 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.61 -37.16 63.02 Favored 'Trans proline' 0 N--CA 1.498 1.738 0 C-N-CA 122.171 1.914 . . . . 0.0 112.052 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -64.2 -39.94 95.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.822 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.46 -40.88 98.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.342 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 98.3 mt -67.65 -40.16 84.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.683 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -63.74 -42.62 97.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.618 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.45 -39.97 92.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 15.1 mmt -61.03 -43.76 98.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 61' ' ' ILE . . . . . 0.593 HG22 ' OD2' ' C' ' 65' ' ' ASP . 96.6 mt -65.27 -45.23 94.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.295 0.569 . . . . 0.0 110.298 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -62.72 -40.35 96.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -66.05 -43.34 87.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.48 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -81.11 -20.79 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.83 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.593 ' OD2' HG22 ' C' ' 61' ' ' ILE . 13.6 m-20 -57.2 140.62 49.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.061 0.458 . . . . 0.0 110.544 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -70.41 -44.72 67.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.58 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 48.3 p-10 -111.85 3.83 17.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.13 24.3 76.66 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 93.2 p -62.45 -22.69 66.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.726 0.298 . . . . 0.0 110.761 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.78 -12.45 65.92 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 62.7 m -134.34 137.56 44.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.757 0.313 . . . . 0.0 110.238 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 42.2 t -98.3 118.54 45.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 73' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' C' ' 75' ' ' ASP . 2.6 p30 -87.01 -176.46 5.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.628 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -58.6 -49.28 78.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 75' ' ' ASP . . . . . 0.537 ' N ' ' OD1' ' C' ' 73' ' ' ASP . 35.3 t70 -61.03 -48.81 80.06 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.055 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.47 -39.82 94.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.621 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -64.85 -40.74 95.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.774 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 78' ' ' LEU . . . . . 0.576 ' O ' HD23 ' C' ' 78' ' ' LEU . 2.6 tt -60.76 -52.21 66.08 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.978 0.418 . . . . 0.0 111.1 -179.022 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 35.3 m -67.52 -31.63 53.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.664 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 65.6 ttp -61.32 -44.12 97.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.412 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 5.6 tpt -64.71 -42.9 94.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.961 0.41 . . . . 0.0 110.144 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.47 -42.52 96.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.465 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.724 -179.732 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 101' ' ' ILE . . . . . 0.617 HD12 ' O ' ' C' ' 101' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.911 0.386 . . . . 0.0 110.65 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 56.9 m -85.31 148.61 25.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.625 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.44 94.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.418 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -62.89 -42.6 99.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.438 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.67 -44.06 96.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.627 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 65.9 ttp -63.42 -42.96 98.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.546 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 1.6 ttp -60.63 -44.32 96.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.372 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -63.67 -40.07 95.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.437 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.66 -40.8 96.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.66 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.43 -40.49 97.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.476 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 2.5 mp -72.22 -31.45 65.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.718 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.687 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.605 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.464 0.173 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.33 -48.18 82.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.944 0.402 . . . . 0.0 111.485 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.24 -36.04 73.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.571 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -69.61 -44.77 70.02 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.811 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -71.05 -40.34 71.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.639 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 86.7 mt -86.19 144.64 27.36 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.429 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 48.2 p -103.17 -179.75 4.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.616 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -58.0 -42.14 84.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.323 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.97 -46.67 89.8 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.386 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -63.82 -39.17 93.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.052 0.453 . . . . 0.0 110.382 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -60.96 -40.41 93.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.51 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -61.12 -43.09 99.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.18 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.36 -39.37 94.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.54 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -63.14 -44.41 95.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.717 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.89 -41.1 97.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.975 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.59 -46.5 89.61 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.573 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.66 -40.76 95.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.452 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' PHE . . . . . 0.544 ' O ' HG22 ' C' ' 28' ' ' VAL . 42.5 t80 -64.7 -38.92 92.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.346 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -59.54 -43.79 93.39 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.342 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 98.3 mt -70.5 -41.18 78.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.124 0.488 . . . . 0.0 110.333 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -41.22 89.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.822 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.544 HG22 ' O ' ' C' ' 24' ' ' PHE . 10.3 m -90.96 24.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 63.3 tp -62.52 125.61 24.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.263 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.02 -10.93 73.4 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -112.29 91.78 3.78 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.974 0.416 . . . . 0.0 110.274 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -62.51 -19.87 64.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.344 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -63.76 -24.48 67.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.556 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.58 14.11 82.33 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 68.5 m -115.57 146.54 41.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.683 0.278 . . . . 0.0 110.536 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.416 ' CD1' HG12 ' C' ' 28' ' ' VAL . 12.5 mm -83.14 122.57 37.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.084 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 22.6 t -121.12 -164.62 1.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.416 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 66.7 p -66.36 -36.97 84.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.314 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.32 -43.17 95.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.86 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.06 -48.02 77.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.019 0.438 . . . . 0.0 110.785 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.59 -37.26 73.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.548 0.69 . . . . 0.0 110.575 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.04 -32.57 71.31 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -58.77 -44.5 90.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.846 0.355 . . . . 0.0 110.296 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 52.9 t -62.66 -41.49 92.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.025 0.441 . . . . 0.0 109.997 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.3 mmt -59.7 -42.45 93.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.244 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -64.12 -37.01 85.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.363 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 53.6 ttm -56.52 -43.65 80.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.746 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.52 -7.83 55.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.494 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.66 13.37 59.68 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -103.71 136.31 43.65 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -128.58 81.39 70.76 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-O 120.935 0.398 . . . . 0.0 110.287 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 52' ' ' PRO . . . . . 0.582 ' HG2' HD21 ' C' ' 57' ' ' LEU . 56.6 Cg_endo -76.13 161.69 35.12 Favored 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.869 2.379 . . . . 0.0 112.639 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 29.8 p -67.35 150.68 97.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.656 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -63.58 -29.04 70.05 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 122.485 2.123 . . . . 0.0 112.158 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -65.05 -41.87 94.76 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 121.562 0.696 . . . . 0.0 110.645 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -70.9 -35.7 72.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.595 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 57' ' ' LEU . . . . . 0.582 HD21 ' HG2' ' C' ' 52' ' ' PRO . 86.9 mt -60.84 -45.16 95.61 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.298 -178.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -68.82 -33.52 73.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.606 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -62.99 -41.47 99.58 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.808 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 67.7 mtt -64.14 -40.98 97.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 38.2 mm -63.63 -43.41 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.698 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -58.77 -47.26 85.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.389 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -63.89 -43.55 95.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.004 0.431 . . . . 0.0 110.931 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 64' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' C' ' 65' ' ' ASP . 58.2 t -66.54 -39.17 83.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.961 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 50.2 t0 -35.27 142.77 0.05 Allowed 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.747 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 66' ' ' GLU . . . . . 0.581 ' OE2' HG11 ' C' ' 79' ' ' VAL . 42.5 tt0 -84.74 -50.58 7.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.303 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -103.17 2.59 34.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.016 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.01 23.84 74.46 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 69' ' ' SER . . . . . 0.461 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 95.4 p -63.81 -19.45 65.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 0.0 110.777 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.0 -11.17 71.21 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 92.4 m -139.06 141.75 38.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.657 0.265 . . . . 0.0 110.764 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 92.8 t -101.24 122.6 53.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.495 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -101.8 -177.93 3.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.643 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -59.49 -47.06 86.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.737 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -59.32 -49.55 77.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.9 -38.08 89.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.665 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -59.16 -48.07 82.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.824 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.69 -45.08 93.18 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.374 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 79' ' ' VAL . . . . . 0.581 HG11 ' OE2' ' C' ' 66' ' ' GLU . 53.3 t -62.84 -46.18 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.88 0.371 . . . . 0.0 110.861 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 40.8 mtp -62.6 -40.77 97.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 9.2 tpt -61.94 -44.41 96.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.417 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.92 -45.56 94.41 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.149 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.161 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.146 -179.265 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 91.4 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.922 0.392 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 68.3 m -70.69 153.32 42.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.57 91.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.824 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -58.2 -45.51 87.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.57 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.18 -41.24 97.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 110.39 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 48.0 tpp -67.06 -40.25 87.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.501 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 61.7 ttp -60.29 -46.87 88.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.708 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -61.33 -45.57 93.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.487 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 109' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' C' ' 112' ' ' GLY . . . -63.87 -39.35 93.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.533 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 25.2 tp -68.09 -41.62 81.59 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.548 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.99 -50.22 17.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.489 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 112' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' C' ' 109' ' ' ALA . . . . . . . . 0 CA--C 1.521 0.425 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.701 0.286 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.09 -46.91 88.01 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.299 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.49 ' O ' ' O ' ' C' ' 12' ' ' LEU . 21.4 m -75.18 -32.54 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.189 0.519 . . . . 0.0 110.42 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -60.19 -39.45 86.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.284 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -88.22 -33.48 18.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.279 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.49 ' O ' ' O ' ' C' ' 9' ' ' VAL . 68.8 mt -110.73 140.05 45.47 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.033 0.444 . . . . 0.0 110.872 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 67.3 p -69.44 156.82 38.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.525 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -64.34 -42.08 96.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.657 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -62.76 -42.63 99.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.691 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -64.19 -38.89 92.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.914 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -63.27 -45.27 92.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.636 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -62.96 -39.69 95.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.658 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.9 -42.61 99.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.634 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -67.45 -35.98 80.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.124 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.66 -47.06 83.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.333 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.42 98.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.906 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.53 94.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.672 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' PHE . . . . . 0.461 ' CD2' ' CE1' ' C' ' 74' ' ' PHE . 69.3 t80 -58.3 -39.43 79.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.66 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -49.76 -28.96 6.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.536 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.62 -38.96 83.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.378 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -61.03 -29.79 69.93 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.665 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.719 ' O ' HG12 ' C' ' 28' ' ' VAL . 58.5 t -83.69 26.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.424 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 33.1 tp -60.72 101.92 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.014 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.8 39.8 48.02 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.15 135.45 49.35 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.609 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -66.19 -43.22 87.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.519 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -105.08 10.92 33.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.704 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.18 3.77 90.61 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 37.6 m -135.3 176.56 8.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.988 0.423 . . . . 0.0 110.902 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.429 HD12 ' HB ' ' C' ' 72' ' ' VAL . 36.0 mt -69.61 123.62 23.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.723 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 37.7 t -111.81 169.38 8.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.51 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 38' ' ' THR . . . . . 0.414 ' H ' HG22 ' C' ' 38' ' ' THR . 0.2 OUTLIER -56.68 -33.9 66.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.474 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -63.08 -42.9 99.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.688 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -70.81 -43.74 68.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.054 0.454 . . . . 0.0 111.042 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 tp -64.61 -27.09 68.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.615 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.08 -38.52 93.14 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -43.96 97.71 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.63 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.18 -46.37 96.76 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.47 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 24.8 mmt -64.74 -37.51 87.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.583 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -53.17 -56.47 16.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.854 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 20.7 ptt? -70.31 -21.33 62.94 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.534 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 16.4 tp -65.19 -14.6 61.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.192 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.21 9.6 44.33 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -124.17 140.39 53.01 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -133.21 58.22 33.02 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.75 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -72.05 159.38 50.22 Favored 'Trans proline' 0 C--N 1.307 -1.613 0 C-N-CA 122.911 2.408 . . . . 0.0 112.451 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 17.8 p -63.82 150.24 91.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.838 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -62.05 -30.93 83.49 Favored 'Trans proline' 0 N--CA 1.492 1.441 0 C-N-CA 122.143 1.896 . . . . 0.0 112.245 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.03 -39.98 95.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.234 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -65.53 -42.01 92.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.548 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 16.5 mt -64.57 -40.88 96.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.044 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -61.73 -43.1 99.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.673 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -63.94 -42.34 97.37 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.074 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 65.7 mtt -63.62 -41.45 98.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.68 -40.75 89.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.426 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -59.86 -41.07 90.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.372 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.69 -45.28 75.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.689 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 72.3 t -67.82 -39.12 81.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.76 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' C' ' 69' ' ' SER . 60.5 t0 -52.38 127.62 22.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.962 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -72.67 -42.54 64.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.545 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 67' ' ' ASP . . . . . 0.467 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 57.6 p30 -90.78 -1.26 57.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.08 -179.432 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.83 19.71 67.74 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 69' ' ' SER . . . . . 0.535 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 94.3 p -71.37 -16.98 62.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.767 0.317 . . . . 0.0 110.818 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 70' ' ' GLY . . . . . 0.467 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 86.12 -2.59 87.61 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 70.1 p -131.41 157.28 43.85 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.597 0.237 . . . . 0.0 110.548 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 72' ' ' VAL . . . . . 0.429 ' HB ' HD12 ' C' ' 36' ' ' ILE . 2.3 t -101.96 112.42 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.917 0.389 . . . . 0.0 110.492 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -85.14 177.27 7.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.524 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 74' ' ' PHE . . . . . 0.461 ' CE1' ' CD2' ' C' ' 24' ' ' PHE . 5.7 m-85 -59.27 -46.88 87.33 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 75' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 1.2 p30 -66.45 -45.29 80.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.904 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.509 ' N ' ' OD1' ' C' ' 75' ' ' ASP . 30.5 tt0 -62.36 -43.7 98.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.827 0.346 . . . . 0.0 110.627 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -61.12 -44.0 98.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.508 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 4.4 tp -55.19 -41.25 71.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.162 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 61.5 t -69.05 -42.6 82.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.939 0.399 . . . . 0.0 110.542 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 18.5 ttp -59.96 -45.19 93.46 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.387 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 10.4 tpp -61.18 -45.65 93.72 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.024 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.46 -45.73 98.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.004 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 . . . . . 0 C--N 1.33 -0.268 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.67 -179.732 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 21.5 tt . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.925 0.393 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 26.6 t -89.23 161.78 16.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.01 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.27 83.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.34 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.19 -42.12 94.4 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.16 0.505 . . . . 0.0 109.995 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.88 -39.78 66.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.069 0.462 . . . . 0.0 110.505 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 16.9 tpt -61.57 -49.4 76.79 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.451 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -66.97 -34.02 76.84 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.249 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -61.93 -46.08 90.9 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.495 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.07 -41.6 94.93 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.831 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.89 -40.21 96.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.682 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.45 -16.71 62.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.48 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.557 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.933 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.662 0.268 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.25 99.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.487 ' O ' ' O ' ' C' ' 12' ' ' LEU . 63.1 t -63.51 -42.71 97.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.452 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.87 -45.65 92.85 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.939 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -71.44 -40.65 70.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' C' ' 9' ' ' VAL . 87.6 mt -89.1 145.69 25.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.8 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 46.0 p -115.7 178.75 4.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.248 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -60.18 -40.61 90.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.847 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' GLU . . . . . 0.546 ' O ' ' ND2' ' C' ' 18' ' ' ASN . 88.1 tt0 -62.06 -40.89 97.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.147 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -62.66 -40.79 98.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.671 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -61.65 -39.98 93.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.556 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' C' ' 15' ' ' GLU . 0.1 OUTLIER -63.26 -47.81 80.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.273 -179.84 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 19' ' ' GLU . . . . . 0.472 ' N ' ' CG ' ' C' ' 18' ' ' ASN . 0.8 OUTLIER -65.36 -40.33 93.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.647 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.96 -26.49 68.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.353 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -59.53 -39.72 84.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.207 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.96 97.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.704 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.33 99.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.916 0.388 . . . . 0.0 110.505 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' PHE . . . . . 0.637 ' O ' HG22 ' C' ' 28' ' ' VAL . 76.4 t80 -60.49 -43.34 97.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.506 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -59.19 -41.4 88.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.722 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.19 -41.75 89.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.95 0.405 . . . . 0.0 110.597 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -63.06 -37.57 87.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.177 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.637 HG22 ' O ' ' C' ' 24' ' ' PHE . 19.0 m -102.49 28.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.81 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 29' ' ' LEU . . . . . 0.593 HD13 ' N ' ' C' ' 30' ' ' GLY . 0.2 OUTLIER -65.28 121.84 15.73 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.036 -179.867 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 30' ' ' GLY . . . . . 0.593 ' N ' HD13 ' C' ' 29' ' ' LEU . . . 82.71 12.27 80.3 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.35 111.25 12.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.775 0.321 . . . . 0.0 110.162 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.05 -39.73 95.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.687 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -87.94 -10.19 51.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.631 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.86 -8.22 80.16 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 97.3 p -102.8 159.63 15.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.708 0.289 . . . . 0.0 110.561 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.431 ' H ' HG22 ' C' ' 36' ' ' ILE . 1.9 tt -83.3 121.89 36.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.597 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 10.6 p -120.82 -165.58 1.23 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.357 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 46.8 p -64.84 -38.17 90.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.761 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.73 -44.14 96.98 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.957 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 43.2 mp0 -63.96 -45.02 90.98 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.147 0.499 . . . . 0.0 110.811 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' LEU . . . . . 0.605 HD22 HD22 ' C' ' 57' ' ' LEU . 2.6 tt -67.34 -40.46 85.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.855 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.69 -39.91 98.06 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -59.19 -45.9 89.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.3 -42.84 95.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.518 -0.473 . . . . 0.0 109.971 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 13.2 mmt -62.26 -41.57 98.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.985 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.71 -39.67 94.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.989 0.423 . . . . 0.0 110.447 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 64.1 ttp -62.07 -40.59 96.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.183 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 7.4 mp -74.04 -3.85 31.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.67 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.9 7.01 66.61 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -95.57 139.17 32.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.729 0.299 . . . . 0.0 110.592 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -131.74 66.21 77.5 Favored Pre-proline 0 N--CA 1.462 0.169 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 52' ' ' PRO . . . . . 0.485 ' HG2' HD21 ' C' ' 57' ' ' LEU . 51.4 Cg_endo -71.67 152.85 59.51 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 122.601 2.2 . . . . 0.0 112.13 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 21.5 p -70.7 151.97 95.27 Favored Pre-proline 0 C--N 1.323 -0.574 0 C-N-CA 120.354 -0.539 . . . . 0.0 111.234 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.79 -39.84 82.42 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 121.842 1.695 . . . . 0.0 112.714 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 55' ' ' GLU . . . . . 0.477 ' CG ' ' N ' ' C' ' 56' ' ' GLU . 21.3 pt-20 -62.51 -42.4 99.48 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.827 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 56' ' ' GLU . . . . . 0.477 ' N ' ' CG ' ' C' ' 55' ' ' GLU . 56.7 mt-10 -64.1 -40.7 96.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.495 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 57' ' ' LEU . . . . . 0.605 HD22 HD22 ' C' ' 41' ' ' LEU . 92.0 mt -63.16 -42.46 99.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.977 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -64.49 -42.71 95.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.705 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -64.94 -42.19 94.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.502 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 87.5 mtp -62.95 -42.25 99.76 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.812 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 81.2 mt -62.77 -42.73 97.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.594 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -59.7 -41.8 91.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.638 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.25 -44.42 95.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.894 0.378 . . . . 0.0 110.457 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 57.4 t -76.7 -38.48 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 63.8 t0 -42.09 143.39 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.758 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 66' ' ' GLU . . . . . 0.519 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 50.8 mt-10 -85.95 -43.3 13.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.202 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.9 p30 -105.67 -0.88 25.18 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.129 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 68' ' ' GLY . . . . . 0.454 ' H ' ' CG ' ' C' ' 65' ' ' ASP . . . 66.87 17.85 67.89 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 69' ' ' SER . . . . . 0.47 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 88.2 p -71.57 -15.9 62.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.906 0.384 . . . . 0.0 110.787 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.24 -18.98 56.33 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 84.7 m -134.05 138.7 45.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.556 0.217 . . . . 0.0 110.474 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 72' ' ' VAL . . . . . 0.808 HG11 ' SD ' ' C' ' 80' ' ' MET . 34.4 m -107.46 134.89 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.991 0.424 . . . . 0.0 110.693 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -88.89 -177.3 5.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.398 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.24 -46.97 87.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.401 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -61.34 -46.69 89.18 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.06 0.457 . . . . 0.0 110.862 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -65.52 -37.46 86.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.384 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -59.04 -47.04 86.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.384 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.02 -42.12 89.4 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.353 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 64.5 t -63.5 -40.53 89.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.535 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 80' ' ' MET . . . . . 0.808 ' SD ' HG11 ' C' ' 72' ' ' VAL . 82.3 mtp -59.74 -40.03 86.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.208 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 6.1 tpt -55.12 -58.25 8.42 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.118 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 82' ' ' VAL . . . . . 0.483 HG13 ' N ' ' C' ' 83' ' ' ARG . 10.7 p -71.95 -40.7 68.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 120.842 0.353 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 83' ' ' ARG . . . . . 0.483 ' N ' HG13 ' C' ' 82' ' ' VAL . 51.2 ttt85 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.882 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 22.0 pt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.872 0.368 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 83.4 p -73.99 167.09 22.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.648 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.2 -37.99 81.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.435 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -57.88 -49.05 78.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 110.324 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.69 -38.76 92.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.041 0.448 . . . . 0.0 110.588 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.06 -38.32 82.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.424 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 59.0 ttm -57.22 -47.94 80.05 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.106 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -66.05 -42.13 89.9 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.366 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.1 93.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.813 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 5.9 tp -58.72 -61.91 2.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.407 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.12 -39.9 95.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.703 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.636 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.713 0.292 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 8' ' ' ALA . . . . . 0.545 ' O ' ' N ' ' C' ' 12' ' ' LEU . . . -61.97 -44.4 96.82 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.499 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 75.1 t -67.05 -41.24 86.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.013 0.435 . . . . 0.0 110.656 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -62.82 -44.17 96.85 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.09 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -91.5 -43.05 9.92 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.122 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' C' ' 8' ' ' ALA . 39.2 mt -108.63 159.58 16.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.372 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 58.5 p -102.64 168.2 9.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.394 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.13 -36.62 80.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.388 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -59.83 -42.82 94.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.529 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' GLN . . . . . 0.454 ' OE1' ' CE ' ' C' ' 107' ' ' MET . 99.5 mm-40 -66.43 -40.5 89.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.759 0.314 . . . . 0.0 110.769 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -62.82 -44.49 96.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.581 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -64.61 -41.16 96.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.671 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -61.34 -40.58 94.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.804 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -61.74 -45.7 92.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.057 0.456 . . . . 0.0 110.431 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -47.38 73.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.424 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.17 93.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.883 0.373 . . . . 0.0 110.812 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.81 -26.03 67.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.738 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' PHE . . . . . 0.777 ' O ' HG23 ' C' ' 28' ' ' VAL . 91.5 t80 -53.28 -37.35 62.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.352 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -58.18 -40.54 81.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.28 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 48.3 mm -68.44 -42.85 84.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.521 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -65.71 -25.52 67.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.728 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.777 HG23 ' O ' ' C' ' 24' ' ' PHE . 79.6 t -70.93 -22.7 23.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.538 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 29' ' ' LEU . . . . . 0.44 ' O ' ' OE2' ' C' ' 40' ' ' GLU . 57.5 tp -61.01 124.81 21.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.461 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.15 -11.68 65.56 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.95 122.63 24.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.888 0.375 . . . . 0.0 110.424 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.83 -40.61 97.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.12 -1.92 57.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 34' ' ' GLY . . . . . 0.585 ' O ' HG13 ' C' ' 28' ' ' VAL . . . 81.58 4.3 90.41 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 67.3 m -122.16 155.48 35.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.845 0.355 . . . . 0.0 110.387 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 71.0 mt -60.58 124.99 15.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.584 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 1.4 m -126.63 -164.11 1.3 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.381 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 97.9 m -61.45 -42.72 99.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.564 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -61.23 -46.0 92.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' GLU . . . . . 0.44 ' OE2' ' O ' ' C' ' 29' ' ' LEU . 76.2 mm-40 -68.61 -44.31 74.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.943 0.401 . . . . 0.0 110.987 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.19 -26.83 68.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.415 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 42' ' ' GLY . . . . . 0.459 ' C ' ' NH1' ' C' ' 46' ' ' ARG . . . -58.1 -36.61 82.59 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -59.89 -41.19 91.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.389 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.7 -41.53 92.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.392 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 21.3 mmt -62.24 -39.93 94.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.714 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 46' ' ' ARG . . . . . 0.459 ' NH1' ' C ' ' C' ' 42' ' ' GLY . 84.5 mtt85 -61.18 -40.13 92.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.225 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 32.1 ttp -62.02 -39.98 94.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.97 0.414 . . . . 0.0 110.677 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.5 mt -73.82 -6.0 44.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.564 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.8 15.45 65.48 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -107.42 135.11 49.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.723 0.297 . . . . 0.0 110.448 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -133.05 61.23 54.68 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.704 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 52' ' ' PRO . . . . . 0.494 ' HG2' HD11 ' C' ' 57' ' ' LEU . 55.7 Cg_endo -74.15 164.86 33.31 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.965 2.443 . . . . 0.0 112.194 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 75.2 p -64.39 147.71 96.95 Favored Pre-proline 0 N--CA 1.448 -0.552 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.563 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.71 -31.51 39.75 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.467 2.111 . . . . 0.0 112.28 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 58.5 mp0 -63.31 -44.01 96.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.629 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -66.19 -39.95 90.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.413 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 57' ' ' LEU . . . . . 0.494 HD11 ' HG2' ' C' ' 52' ' ' PRO . 18.0 mt -63.23 -40.53 97.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.894 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.57 -40.86 98.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.516 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -61.3 -42.73 99.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.327 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 21.3 mmt -63.68 -40.92 98.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.697 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 61' ' ' ILE . . . . . 0.451 ' O ' HG12 ' C' ' 64' ' ' VAL . 0.9 OUTLIER -60.86 -37.33 76.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.278 0.561 . . . . 0.0 110.016 -179.557 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -65.39 -43.28 91.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.944 0.402 . . . . 0.0 110.049 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -72.07 -40.4 68.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.359 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 64' ' ' VAL . . . . . 0.451 HG12 ' O ' ' C' ' 61' ' ' ILE . 0.3 OUTLIER -59.98 -30.97 46.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.436 -178.632 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.462 ' OD2' ' CA ' ' C' ' 70' ' ' GLY . 99.3 m-20 -56.6 113.99 1.85 Allowed 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.275 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -66.88 -43.01 84.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.699 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 59.8 p30 -94.95 -0.25 54.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.762 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.13 24.97 74.66 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 99.5 p -65.09 -16.11 63.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.758 0.313 . . . . 0.0 110.59 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 70' ' ' GLY . . . . . 0.462 ' CA ' ' OD2' ' C' ' 65' ' ' ASP . . . 92.21 -6.51 78.54 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 66.5 p -132.07 162.3 31.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.765 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 72' ' ' VAL . . . . . 0.401 ' O ' HG22 ' C' ' 72' ' ' VAL . 0.7 OUTLIER -101.92 109.08 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.571 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 73' ' ' ASP . . . . . 0.416 ' CG ' ' N ' ' C' ' 74' ' ' PHE . 18.8 t70 -78.27 170.02 17.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.572 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 74' ' ' PHE . . . . . 0.416 ' N ' ' CG ' ' C' ' 73' ' ' ASP . 0.0 OUTLIER -57.12 -47.03 82.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.46 -179.788 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 75' ' ' ASP . . . . . 0.641 ' O ' HG23 ' C' ' 79' ' ' VAL . 98.3 m-20 -60.53 -42.69 97.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.694 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.76 -41.79 91.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.829 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -63.1 -45.34 92.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.332 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 5.1 tp -63.04 -37.27 86.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.431 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 79' ' ' VAL . . . . . 0.641 HG23 ' O ' ' C' ' 75' ' ' ASP . 55.7 t -60.83 -44.68 98.14 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.426 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 81.5 mmm -63.93 -41.49 97.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.853 0.359 . . . . 0.0 111.367 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 31.3 ttm -61.37 -49.93 74.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.704 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 82' ' ' VAL . . . . . 0.445 HG23 ' N ' ' C' ' 83' ' ' ARG . 18.4 m -71.34 -38.35 68.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.758 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 83' ' ' ARG . . . . . 0.445 ' N ' HG23 ' C' ' 82' ' ' VAL . 68.6 ttp85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.247 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 97.2 mt . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.862 0.363 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 102' ' ' SER . . . . . 0.437 ' OG ' ' OD2' ' C' ' 104' ' ' ASP . 46.8 t -79.57 145.85 32.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.12 0.486 . . . . 0.0 110.812 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.96 -40.45 95.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.73 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 104' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' C' ' 105' ' ' ALA . 2.0 p30 -60.01 -41.18 91.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.694 -179.496 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 105' ' ' ALA . . . . . 0.555 ' N ' ' OD1' ' C' ' 104' ' ' ASP . . . -62.22 -38.62 89.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.459 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 87.8 mtp -61.41 -44.46 97.1 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.588 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 107' ' ' MET . . . . . 0.454 ' CE ' ' OE1' ' C' ' 16' ' ' GLN . 76.0 mtm -65.03 -40.82 95.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.867 0.365 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -61.72 -45.52 93.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.985 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.54 91.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 5.4 mp -62.31 -43.71 98.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.44 -20.35 64.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.806 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.98 -42.61 98.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.63 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' C' ' 12' ' ' LEU . 60.4 t -62.87 -39.14 83.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.719 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -58.39 -42.64 87.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.313 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.92 -39.73 19.44 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.579 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' C' ' 9' ' ' VAL . 94.2 mt -79.01 140.26 38.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.544 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 70.3 p -109.06 169.3 8.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.4 -39.28 90.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.326 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.41 -46.83 88.61 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.182 0.515 . . . . 0.0 110.673 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -64.48 -40.31 95.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.246 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -62.39 -39.07 92.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.083 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -59.09 -43.4 91.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.403 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.79 -45.62 93.7 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.215 0.531 . . . . 0.0 110.495 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -66.33 -35.6 80.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.599 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -58.06 -46.73 84.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.53 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.85 -43.86 97.99 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.277 0.561 . . . . 0.0 110.532 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.23 -40.02 94.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.418 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -59.36 -45.11 92.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.732 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -58.25 -42.65 86.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.938 0.399 . . . . 0.0 110.267 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.8 mt -67.4 -38.62 81.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.632 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' PHE . . . . . 0.761 ' CZ ' HG11 ' C' ' 44' ' ' VAL . 4.7 t80 -56.72 -40.03 74.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.604 -178.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.438 HG11 ' O ' ' C' ' 34' ' ' GLY . 27.6 m -83.84 28.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.583 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.84 120.88 5.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.842 0.353 . . . . 0.0 110.539 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.59 -8.21 74.44 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -115.05 97.93 6.5 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.015 0.436 . . . . 0.0 110.46 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -64.91 -35.74 82.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.562 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -63.0 -26.39 68.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.648 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' GLY . . . . . 0.438 ' O ' HG11 ' C' ' 28' ' ' VAL . . . 95.16 -7.26 69.36 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 86.9 p -77.48 162.83 26.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.798 0.332 . . . . 0.0 110.513 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 35.0 pt -134.95 144.12 35.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.75 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 4.4 t -132.24 -164.63 1.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.266 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 63.0 p -64.0 -37.01 85.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.491 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -62.23 -47.3 85.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.863 0.363 . . . . 0.0 110.83 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -43.91 88.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.999 0.428 . . . . 0.0 110.314 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 41' ' ' LEU . . . . . 0.463 ' O ' ' CG ' ' C' ' 45' ' ' MET . 77.4 mt -62.22 -39.51 93.01 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.387 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.75 -39.38 97.36 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.79 -53.4 27.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.689 0.28 . . . . 0.0 111.565 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 44' ' ' VAL . . . . . 0.761 HG11 ' CZ ' ' C' ' 27' ' ' PHE . 11.7 p -67.73 -32.31 56.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.385 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 45' ' ' MET . . . . . 0.463 ' CG ' ' O ' ' C' ' 41' ' ' LEU . 7.2 mmt -60.89 -45.95 92.57 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.779 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -63.06 -40.9 99.08 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.3 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 16.3 tmm? -63.17 -40.62 98.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.768 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 20.5 mt -64.63 -19.15 65.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.681 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 100.11 8.18 51.1 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 50' ' ' GLN . . . . . 0.436 ' O ' ' O ' ' C' ' 45' ' ' MET . 5.0 pt20 -123.07 139.78 53.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.391 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 51' ' ' ASN . . . . . 0.403 ' O ' ' OD1' ' C' ' 51' ' ' ASN . 33.4 t-20 -131.7 75.03 76.98 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.816 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -72.15 154.95 57.1 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 122.568 2.179 . . . . 0.0 112.344 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 22.5 p -61.88 136.22 94.89 Favored Pre-proline 0 C--N 1.323 -0.564 0 C-N-CA 119.811 -0.756 . . . . 0.0 111.332 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.83 -38.75 78.66 Favored 'Trans proline' 0 N--CA 1.5 1.885 0 C-N-CA 121.942 1.761 . . . . 0.0 112.479 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -62.12 -43.33 99.07 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.567 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.09 -39.37 93.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 84.4 mt -61.8 -42.74 99.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.717 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -65.0 -40.8 95.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.457 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -62.7 -43.82 97.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.241 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 60' ' ' MET . . . . . 0.624 ' O ' HG22 ' C' ' 64' ' ' VAL . 28.3 ttt -62.1 -44.04 97.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.548 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 88.2 mt -61.37 -43.92 97.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.555 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -65.14 -42.13 94.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.971 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.64 -41.8 98.2 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.262 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 64' ' ' VAL . . . . . 0.624 HG22 ' O ' ' C' ' 60' ' ' MET . 19.7 m -88.27 7.89 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.427 ' OD2' ' N ' ' C' ' 70' ' ' GLY . 29.9 t0 -75.43 125.04 28.21 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.371 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -90.77 -46.81 8.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.149 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 56.2 p-10 -91.87 -1.25 57.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.98 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.06 12.51 62.9 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 87.9 p -66.51 -26.53 67.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.938 0.399 . . . . 0.0 111.047 -179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 70' ' ' GLY . . . . . 0.427 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 84.57 5.3 86.92 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 27.2 m -129.85 141.93 50.75 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.639 0.257 . . . . 0.0 110.475 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 41.3 t -81.35 117.4 27.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.156 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -93.9 178.19 5.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.523 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -58.54 -48.77 79.77 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.559 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.87 -44.16 93.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.997 0.427 . . . . 0.0 110.544 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.88 -37.65 87.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.473 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -59.4 -45.67 90.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.4 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 78' ' ' LEU . . . . . 0.626 ' O ' HG23 ' C' ' 82' ' ' VAL . 99.0 mt -60.88 -39.96 91.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.131 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.29 -42.43 95.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.756 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 48.8 tpp -57.25 -48.7 78.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.305 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 14.8 mmt -65.21 -39.35 92.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.844 0.354 . . . . 0.0 110.968 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 82' ' ' VAL . . . . . 0.626 HG23 ' O ' ' C' ' 78' ' ' LEU . 60.9 t -61.48 -44.68 98.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.721 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.827 -179.825 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 18.1 tt . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.828 0.347 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 52.2 m -92.39 155.8 17.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.77 97.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.861 0.362 . . . . 0.0 110.625 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -63.0 -41.32 99.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.0 0.429 . . . . 0.0 110.524 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.88 -39.32 94.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.522 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 15.5 tpt -59.73 -44.29 93.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.216 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 54.6 ttp -61.89 -46.02 91.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.336 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 108' ' ' GLN . . . . . 0.55 ' O ' ' N ' ' C' ' 112' ' ' GLY . 77.8 mt-30 -64.21 -39.61 94.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.461 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.27 -41.6 97.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.583 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 10.9 mt -69.48 -47.66 63.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.661 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 4.2 mp -109.29 -52.42 2.77 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.901 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 112' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . . . . . . 0 CA--C 1.524 0.601 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.739 0.305 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.98 94.8 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.293 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.463 ' O ' ' O ' ' C' ' 12' ' ' LEU . 54.0 t -63.45 -38.53 82.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.05 0.453 . . . . 0.0 110.906 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -59.46 -40.23 86.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.731 -179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.37 -40.08 11.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.773 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' C' ' 9' ' ' VAL . 69.2 mt -93.77 140.51 29.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.531 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 65.9 p -90.53 177.66 6.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.688 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -61.52 -36.0 79.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.239 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -59.6 -42.59 92.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.801 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -64.11 -40.41 96.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.935 0.398 . . . . 0.0 110.543 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -61.8 -43.37 98.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.287 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -62.26 -45.54 92.82 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.568 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -62.2 -42.48 99.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.525 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.679 ' CE2' HD21 ' C' ' 78' ' ' LEU . 0.0 OUTLIER -56.42 -50.54 71.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.569 -179.696 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -63.08 -45.96 89.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.777 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.81 97.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.41 98.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.941 0.4 . . . . 0.0 110.71 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' PHE . . . . . 0.819 ' O ' HG23 ' C' ' 28' ' ' VAL . 83.9 t80 -58.68 -44.42 90.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.249 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -58.65 -41.31 85.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.38 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 1.5 mp -71.43 -39.54 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.403 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.25 -18.72 64.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.819 HG23 ' O ' ' C' ' 24' ' ' PHE . 53.6 t -71.67 -23.69 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.674 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 29' ' ' LEU . . . . . 0.456 ' N ' HD22 ' C' ' 29' ' ' LEU . 4.3 mm? -60.98 134.41 57.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.881 0.372 . . . . 0.0 110.733 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.37 -5.4 84.77 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' ALA . . . . . 0.594 ' HB2' ' OE2' ' C' ' 40' ' ' GLU . . . -117.06 101.81 8.79 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.779 0.323 . . . . 0.0 110.471 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -64.85 -41.06 96.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.469 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -64.85 -23.42 67.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.393 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.44 -0.88 83.69 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 97.4 p -105.41 166.4 10.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.734 0.302 . . . . 0.0 110.684 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 67.3 mt -92.81 121.42 43.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 16.7 m -117.46 -171.83 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.664 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' THR . . . . . 0.492 ' O ' HD13 ' C' ' 57' ' ' LEU . 74.9 p -64.52 -38.65 91.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.53 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -64.95 -39.85 94.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.757 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 40' ' ' GLU . . . . . 0.594 ' OE2' ' HB2' ' C' ' 31' ' ' ALA . 76.5 mm-40 -61.94 -42.91 99.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.801 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 3.0 mt -63.79 -33.74 76.35 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.196 0.522 . . . . 0.0 110.898 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.37 -29.74 63.74 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -59.54 -42.84 93.26 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.373 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 66.8 t -63.21 -47.81 90.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.87 0.367 . . . . 0.0 110.482 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 6.2 mtm -67.65 -39.29 84.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.579 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 79.9 mtt-85 -61.46 -44.66 96.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.719 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 53.3 ttp -63.14 -39.74 95.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.444 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 tp -59.03 -26.38 64.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.336 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.43 33.46 4.82 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.289 -0.725 . . . . 0.0 111.289 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -113.63 179.45 3.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.648 0.261 . . . . 0.0 110.694 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.12 80.89 57.87 Favored Pre-proline 0 CA--C 1.531 0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.98 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -72.19 154.37 56.87 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 122.838 2.359 . . . . 0.0 112.239 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 28.4 p -123.58 150.6 61.79 Favored Pre-proline 0 N--CA 1.448 -0.542 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.782 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -49.14 -44.99 31.33 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 122.298 1.999 . . . . 0.0 112.259 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -63.69 -43.56 96.28 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.982 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -64.77 -41.89 95.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.97 0.414 . . . . 0.0 110.915 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 57' ' ' LEU . . . . . 0.492 HD13 ' O ' ' C' ' 38' ' ' THR . 96.7 mt -65.98 -38.93 89.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.758 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -60.88 -42.62 98.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.547 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -65.7 -41.72 92.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.593 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 28.4 ttt -62.28 -42.0 98.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.243 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 mm -59.68 -43.83 92.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.79 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.46 -41.75 90.42 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.434 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -72.52 -43.29 63.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.919 0.39 . . . . 0.0 110.525 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 64' ' ' VAL . . . . . 0.46 HG12 ' SD ' ' C' ' 80' ' ' MET . 53.6 t -66.44 -39.93 85.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.058 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 58.8 t0 -50.47 146.95 4.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.451 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 66' ' ' GLU . . . . . 0.537 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 12.7 mm-40 -91.41 -43.37 9.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.988 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -102.22 -2.04 30.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.664 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.33 20.65 69.66 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 69' ' ' SER . . . . . 0.491 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 84.2 p -73.02 -12.34 60.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.736 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.47 -19.33 51.16 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 77.5 p -137.52 160.95 37.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.666 0.269 . . . . 0.0 110.437 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 72' ' ' VAL . . . . . 0.615 HG23 ' O ' ' C' ' 72' ' ' VAL . 33.5 m -120.95 112.66 36.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.396 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -75.45 178.0 6.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.722 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -58.58 -49.34 77.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.662 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -66.22 -41.31 90.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.494 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.77 -39.23 90.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.708 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -59.88 -46.68 88.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.381 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 78' ' ' LEU . . . . . 0.679 HD21 ' CE2' ' C' ' 20' ' ' PHE . 12.9 mt -60.99 -47.02 88.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 0.0 111.096 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.48 -41.86 94.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.479 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 80' ' ' MET . . . . . 0.46 ' SD ' HG12 ' C' ' 64' ' ' VAL . 66.7 ttp -59.33 -44.09 92.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.47 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 2.2 tpt -60.6 -42.71 97.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.959 0.409 . . . . 0.0 110.181 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 78.6 t -65.34 -41.2 90.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.623 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.458 -179.276 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 79.0 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.623 0.249 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 44.3 m -93.11 143.9 25.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.861 0.362 . . . . 0.0 110.438 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.04 -35.05 75.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.354 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -58.84 -36.94 75.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.263 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.3 93.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.613 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 2.6 mmm -63.97 -40.31 96.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.521 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 13.1 ttm -60.99 -49.04 79.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.843 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -61.04 -41.98 97.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.688 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.63 -43.79 92.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.935 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 85.7 mt -68.05 -44.26 76.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.203 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -75.06 -49.29 20.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.869 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.514 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 179.738 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.808 0.337 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.6 -46.08 90.0 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -74.11 -34.97 39.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.963 0.411 . . . . 0.0 110.606 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -63.67 -40.03 95.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.574 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' GLN . . . . . 0.433 ' O ' ' O ' ' C' ' 12' ' ' LEU . 83.9 mt-30 -98.64 19.39 14.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.838 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' C' ' 11' ' ' GLN . 2.3 pp -34.15 153.15 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 O-C-N 123.598 0.561 . . . . 0.0 110.433 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.3 p -115.75 165.51 12.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.469 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -61.01 -39.65 90.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.381 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' GLU . . . . . 0.438 ' O ' ' OE1' ' C' ' 19' ' ' GLU . 53.7 tp10 -61.29 -43.34 99.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.18 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -60.31 -40.5 90.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.007 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -63.53 -36.69 84.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -58.51 -47.52 83.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.09 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' GLU . . . . . 0.438 ' OE1' ' O ' ' C' ' 15' ' ' GLU . 7.6 mp0 -67.21 -38.58 85.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.627 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -59.59 -48.59 81.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.925 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -61.5 -40.8 95.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.687 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.04 -41.05 99.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.627 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.58 92.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.414 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.4 -37.45 80.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.172 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.75 -41.64 97.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.507 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 38.1 pt -77.71 -28.17 15.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.811 0.338 . . . . 0.0 111.17 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.5 -45.07 76.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.599 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 35.1 m -73.12 -4.12 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.954 0.407 . . . . 0.0 110.676 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' LEU . . . . . 0.474 HD23 ' N ' ' C' ' 30' ' ' GLY . 1.7 tt -69.09 110.06 4.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.478 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 30' ' ' GLY . . . . . 0.474 ' N ' HD23 ' C' ' 29' ' ' LEU . . . 77.69 18.83 76.84 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.55 115.31 27.22 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.667 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -68.81 -41.51 78.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -67.68 -30.06 69.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.768 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.33 4.28 88.96 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.53 -178.85 5.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.657 0.265 . . . . 0.0 110.384 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 31.2 mm -75.47 121.15 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 110.173 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 5.5 t -148.65 -165.08 2.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.611 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' THR . . . . . 0.402 HG22 HG13 ' C' ' 61' ' ' ILE . 68.4 p -67.34 -37.1 82.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.515 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 67.2 tttm -63.54 -42.71 98.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.591 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -60.97 -44.83 96.79 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.07 0.462 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tt -65.23 -41.61 94.2 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.055 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.26 -38.89 96.95 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -58.57 -44.1 89.63 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.73 -43.96 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.581 0.705 . . . . 0.0 110.134 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 45' ' ' MET . . . . . 0.506 ' SD ' ' OE1' ' C' ' 50' ' ' GLN . 25.6 mmt -66.77 -39.88 88.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -61.8 -45.23 94.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.669 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 6.2 ptt? -71.28 -22.47 61.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.095 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.65 -3.73 39.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.616 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.84 12.15 66.81 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 50' ' ' GLN . . . . . 0.506 ' OE1' ' SD ' ' C' ' 45' ' ' MET . 85.0 mt-30 -102.1 152.2 21.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.735 0.302 . . . . 0.0 110.418 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -136.17 65.62 58.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.267 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -72.76 153.72 53.78 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.753 2.302 . . . . 0.0 112.651 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 1.4 p -67.89 154.83 93.0 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.603 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 54' ' ' PRO . . . . . 0.489 ' HA ' HD12 ' C' ' 57' ' ' LEU . 19.1 Cg_endo -60.26 -31.27 92.76 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.423 2.082 . . . . 0.0 112.054 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 55' ' ' GLU . . . . . 0.41 ' CG ' ' N ' ' C' ' 56' ' ' GLU . 8.9 pt-20 -67.02 -38.62 86.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.942 0.401 . . . . 0.0 110.202 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 56' ' ' GLU . . . . . 0.41 ' N ' ' CG ' ' C' ' 55' ' ' GLU . 99.2 mt-10 -67.14 -37.7 84.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.434 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 57' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' C' ' 54' ' ' PRO . 84.0 mt -60.92 -42.87 98.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.348 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -67.04 -41.21 86.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.801 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.1 -41.6 96.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.416 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 49.0 tpp -63.26 -41.16 99.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.1 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 61' ' ' ILE . . . . . 0.402 HG13 HG22 ' C' ' 38' ' ' THR . 4.1 mm -60.59 -46.21 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.815 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -61.18 -43.7 98.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.83 0.348 . . . . 0.0 110.525 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -65.91 -45.19 82.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 64' ' ' VAL . . . . . 0.434 ' CG1' ' SD ' ' C' ' 80' ' ' MET . 73.3 t -65.14 -39.72 86.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.722 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 52.3 t0 -53.69 139.96 30.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.755 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 66' ' ' GLU . . . . . 0.535 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 22.5 tp10 -88.03 -42.81 12.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.989 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -101.66 -1.61 32.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.675 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 68' ' ' GLY . . . . . 0.406 ' H ' ' CG ' ' C' ' 65' ' ' ASP . . . 67.75 23.22 74.01 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 69' ' ' SER . . . . . 0.531 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 99.9 p -73.44 -10.51 59.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.817 0.341 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.33 -8.56 75.14 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 69.5 p -135.26 164.04 28.61 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.55 0.214 . . . . 0.0 110.483 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 28.7 t -112.5 116.37 52.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.14 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 73' ' ' ASP . . . . . 0.523 ' CG ' ' N ' ' C' ' 74' ' ' PHE . 1.0 OUTLIER -73.5 166.64 22.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.356 179.563 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 74' ' ' PHE . . . . . 0.523 ' N ' ' CG ' ' C' ' 73' ' ' ASP . 16.8 m-85 -56.68 -46.99 80.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.542 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -66.24 -41.16 90.41 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.042 0.448 . . . . 0.0 110.468 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -62.72 -39.91 95.53 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.536 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -64.55 -40.47 95.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.326 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.3 -51.93 65.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.735 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 33.4 m -71.9 -27.7 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.984 0.421 . . . . 0.0 110.723 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 80' ' ' MET . . . . . 0.434 ' SD ' ' CG1' ' C' ' 64' ' ' VAL . 50.5 ttp -60.73 -43.87 97.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.767 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 25.1 ttt -61.1 -42.74 99.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.01 0.433 . . . . 0.0 110.654 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 99.2 t -70.41 -35.9 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.464 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.19 -179.552 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.839 0.352 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 64.6 m -67.86 149.04 50.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.499 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.61 -39.57 88.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.636 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.1 -39.68 90.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.42 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.76 95.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.764 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 60.1 mtp -61.97 -44.53 96.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.803 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 76.9 mtm -64.66 -40.03 94.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.457 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 108' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' C' ' 112' ' ' GLY . 11.9 tp-100 -62.51 -42.38 99.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.608 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.69 94.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.49 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 6.0 mp -66.28 -42.57 88.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 98.6 mt -93.42 3.56 55.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.653 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 112' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . . . . . . 0 CA--C 1.524 0.63 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.189 0 N-CA-C 110.472 -0.195 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.99 -44.79 87.39 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.877 0.37 . . . . 0.0 110.576 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 76.7 t -70.09 -38.3 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.099 0.476 . . . . 0.0 110.461 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -55.86 -32.29 63.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.759 -179.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -66.34 -15.8 63.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.666 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 50.1 mt -103.66 137.34 41.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.834 0.35 . . . . 0.0 110.468 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 44.1 p -95.11 168.41 10.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.584 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -62.27 -39.8 94.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.362 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -63.61 -40.02 95.86 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.227 0.537 . . . . 0.0 110.411 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -62.98 -41.29 99.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.509 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.55 -39.27 93.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -60.12 -40.89 91.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.342 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -63.08 -43.67 97.9 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 121.415 0.626 . . . . 0.0 110.639 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.68 -22.56 64.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.756 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -52.46 -25.53 10.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.497 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.97 80.58 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.394 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.79 95.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.965 0.412 . . . . 0.0 110.581 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' PHE . . . . . 0.514 ' O ' HG23 ' C' ' 28' ' ' VAL . 83.9 t80 -59.23 -46.84 87.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.513 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -59.65 -42.4 92.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.78 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 91.8 mt -60.13 -45.29 96.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.555 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -66.39 -34.82 78.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.608 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.514 HG23 ' O ' ' C' ' 24' ' ' PHE . 66.3 t -70.87 -24.57 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.46 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.9 124.04 19.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.559 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.83 -3.49 81.11 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.09 118.79 29.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.601 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.19 -41.25 99.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.479 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.31 -26.21 67.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.534 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.75 -4.04 86.56 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.836 -0.905 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 65.6 m -140.78 161.73 37.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.66 0.267 . . . . 0.0 110.67 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.89 119.97 9.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.069 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 5.6 t -138.6 -158.17 0.83 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.613 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 72.9 p -61.37 -36.82 81.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.509 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -63.15 -50.76 69.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.104 0.478 . . . . 0.0 110.722 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -69.99 -40.91 75.02 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.315 0.579 . . . . 0.0 110.531 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 51.8 tp -63.63 -39.68 94.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.731 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.01 -41.58 99.49 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.326 -1.11 . . . . 0.0 110.326 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -59.98 -42.06 93.37 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.697 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 68.7 t -62.96 -42.86 98.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.261 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 14.0 mmt -62.15 -41.78 98.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.955 0.407 . . . . 0.0 110.378 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -62.63 -38.03 88.64 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.498 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 45.8 mtp -62.24 -38.74 90.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.295 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 94.8 mt -75.51 -10.79 59.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.603 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.41 5.32 59.17 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -101.54 141.45 34.39 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -131.58 74.97 77.46 Favored Pre-proline 0 C--O 1.233 0.21 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.977 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -63.16 149.64 90.85 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 123.184 2.589 . . . . 0.0 112.121 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 21.8 p -70.24 152.88 95.56 Favored Pre-proline 0 N--CA 1.449 -0.505 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.761 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -46.86 -40.69 25.3 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 122.316 2.01 . . . . 0.0 112.335 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -67.11 -32.18 73.15 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-O 121.236 0.541 . . . . 0.0 110.288 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -74.13 -35.47 64.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.73 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.73 -47.06 86.97 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.35 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -71.95 -39.52 69.33 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.777 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -63.19 -40.03 96.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.558 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 17.2 tpt -64.05 -41.18 97.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.281 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 4.4 mm -60.6 -44.05 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.758 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -60.0 -45.03 94.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.343 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.65 -45.52 92.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.36 -39.98 87.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.843 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' C' ' 71' ' ' THR . 1.2 m-20 -62.38 113.11 2.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.686 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -88.9 -18.16 28.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.674 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -109.58 -1.29 18.27 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.72 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.87 17.56 73.49 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 91.5 p -63.4 -21.32 66.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.772 0.32 . . . . 0.0 110.563 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.46 4.39 89.34 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 71' ' ' THR . . . . . 0.418 ' O ' ' OD1' ' C' ' 65' ' ' ASP . 81.2 p -130.03 164.71 23.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.791 0.329 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 47.5 t -98.5 107.34 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.609 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.79 163.59 22.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.517 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -59.45 -48.38 81.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.397 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.34 -42.92 99.47 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.625 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -64.61 -39.95 94.63 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.031 0.444 . . . . 0.0 110.449 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -46.01 90.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.696 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 2.2 tp -64.83 -40.29 94.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.112 0.482 . . . . 0.0 110.294 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.05 -38.47 80.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.828 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 3.2 mmm -53.11 -34.41 56.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.792 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.34 -39.64 93.75 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.839 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 85.9 t -82.84 -28.81 8.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.705 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.662 -179.423 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.804 0.335 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 85.9 p -71.33 151.56 44.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.124 0.488 . . . . 0.0 110.797 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.11 -38.66 91.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.423 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -58.34 -45.58 87.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.589 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.03 -42.96 99.46 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.38 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 4.9 tpt -67.41 -40.98 85.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.415 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 28.8 mmm -61.97 -42.68 99.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.587 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.08 -42.74 88.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.881 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.15 97.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.24 -41.2 90.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.56 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -75.28 -35.93 61.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.322 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 -179.171 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.643 0.258 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 8' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' C' ' 12' ' ' LEU . . . -61.0 -47.57 85.86 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.363 -179.035 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 26.0 m -73.67 -35.91 45.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.727 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -67.47 -40.76 85.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -92.77 -38.4 11.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.019 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' C' ' 8' ' ' ALA . 11.3 mt -112.61 162.66 15.43 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.061 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 65.8 p -117.58 179.95 3.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.569 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -58.26 -31.93 67.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.202 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -59.49 -43.59 93.29 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.431 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 -66.14 -39.69 90.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.923 0.392 . . . . 0.0 110.598 178.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 tmtp? -58.12 -48.34 80.5 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.024 0.44 . . . . 0.0 110.476 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.56 -39.75 94.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.713 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -62.1 -39.71 93.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.165 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -61.37 -41.82 97.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.242 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -62.64 -42.32 99.53 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.218 0.532 . . . . 0.0 110.336 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.05 96.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.478 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.96 -38.58 86.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.274 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' PHE . . . . . 0.423 ' CD2' ' CE2' ' C' ' 74' ' ' PHE . 85.1 t80 -58.48 -48.73 79.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.508 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -59.91 -41.97 92.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.244 0.545 . . . . 0.0 110.382 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 87.5 mt -71.4 -40.61 73.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.063 0.459 . . . . 0.0 110.648 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -67.7 -42.5 81.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.157 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 p -73.88 -22.38 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.329 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.77 129.87 43.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.453 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.8 -2.14 76.03 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' ALA . . . . . 0.514 ' HB2' ' OE2' ' C' ' 40' ' ' GLU . . . -98.54 106.32 18.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.878 0.37 . . . . 0.0 110.36 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.31 -24.5 65.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.698 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.69 -24.27 67.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.53 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.24 7.18 83.4 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 98.2 p -148.02 161.43 41.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.328 . . . . 0.0 110.55 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 97.0 mt -70.92 130.08 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.475 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 37' ' ' SER . . . . . 0.414 ' N ' ' OE1' ' C' ' 40' ' ' GLU . 74.3 p -141.58 -168.17 2.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.769 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 93.5 m -59.57 -37.01 77.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.411 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -57.91 -43.07 85.98 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.489 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' GLU . . . . . 0.514 ' OE2' ' HB2' ' C' ' 31' ' ' ALA . 22.6 mp0 -64.08 -43.89 94.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.97 0.414 . . . . 0.0 110.804 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 tp -62.98 -44.06 97.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.043 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.74 -37.75 95.16 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -56.85 -48.74 77.36 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.646 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.29 -44.22 98.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.094 0.473 . . . . 0.0 110.235 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 25.1 mmt -63.33 -38.14 89.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.398 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -58.64 -42.86 89.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.893 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -63.12 -37.8 88.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.259 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.18 -7.69 9.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.385 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.2 3.01 70.24 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -105.99 136.82 44.98 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.363 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 51' ' ' ASN . . . . . 0.424 ' N ' ' OD1' ' C' ' 51' ' ' ASN . 14.0 p-10 -133.1 64.89 72.13 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.71 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -71.93 161.19 45.63 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.79 2.327 . . . . 0.0 111.985 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 64.2 p -60.43 141.76 91.26 Favored Pre-proline 0 C--N 1.326 -0.439 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.057 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.11 -18.23 30.96 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 122.675 2.25 . . . . 0.0 112.383 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -59.1 -46.39 88.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.123 -178.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 56' ' ' GLU . . . . . 0.407 ' HG2' ' H ' ' C' ' 56' ' ' GLU . 3.0 pt-20 -72.02 -37.18 69.81 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.76 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.64 -41.4 88.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.892 0.377 . . . . 0.0 110.704 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -64.17 -39.98 95.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.537 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.98 -41.83 97.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.167 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 60' ' ' MET . . . . . 0.73 ' O ' HG23 ' C' ' 64' ' ' VAL . 3.9 mmt -62.21 -42.2 99.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.543 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 23.8 mm -61.86 -44.95 99.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.663 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.29 -47.93 83.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.536 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -66.3 -40.94 90.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.324 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 64' ' ' VAL . . . . . 0.73 HG23 ' O ' ' C' ' 60' ' ' MET . 79.2 t -64.24 -39.54 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.582 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.538 ' OD2' ' N ' ' C' ' 69' ' ' SER . 63.8 t0 -54.43 130.53 39.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.701 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 66' ' ' GLU . . . . . 0.45 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 20.0 mp0 -68.39 -41.16 80.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.564 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 67' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 13.3 p30 -93.38 -1.17 56.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.305 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.57 23.15 70.29 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 69' ' ' SER . . . . . 0.538 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 50.1 m -66.79 -21.85 66.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.777 0.322 . . . . 0.0 110.479 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.81 -5.26 72.82 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 80.6 p -128.78 157.46 41.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.701 0.286 . . . . 0.0 110.423 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -104.51 110.86 31.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.215 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -83.94 176.44 8.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.586 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 74' ' ' PHE . . . . . 0.423 ' CE2' ' CD2' ' C' ' 24' ' ' PHE . 0.8 OUTLIER -57.15 -49.05 77.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.374 -179.333 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.07 -44.46 92.32 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.687 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -61.23 -39.84 91.78 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.377 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -60.81 -45.38 94.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 78' ' ' LEU . . . . . 0.686 ' O ' HG23 ' C' ' 82' ' ' VAL . 27.6 tp -59.83 -50.42 73.88 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.97 -178.16 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 79' ' ' VAL . . . . . 0.436 HG23 ' N ' ' C' ' 80' ' ' MET . 34.5 m -72.6 -38.3 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.621 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 80' ' ' MET . . . . . 0.436 ' N ' HG23 ' C' ' 79' ' ' VAL . 1.7 tmm? -61.75 -46.89 87.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 23.6 ttt -63.88 -39.32 93.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.398 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 82' ' ' VAL . . . . . 0.686 HG23 ' O ' ' C' ' 78' ' ' LEU . 64.7 t -60.9 -46.18 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.808 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.508 -179.89 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 5.1 mm . . . . . 0 N--CA 1.464 0.235 0 CA-C-O 120.877 0.37 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 102' ' ' SER . . . . . 0.585 ' HG ' ' CG ' ' C' ' 104' ' ' ASP . 45.4 t -70.55 144.2 51.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.777 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.88 94.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.535 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 104' ' ' ASP . . . . . 0.585 ' CG ' ' HG ' ' C' ' 102' ' ' SER . 6.7 p30 -61.08 -40.01 92.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.778 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 105' ' ' ALA . . . . . 0.578 ' N ' ' OD1' ' C' ' 104' ' ' ASP . . . -62.04 -40.82 97.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.303 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 31.1 ttm -59.88 -46.23 89.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.727 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -62.63 -43.86 97.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.719 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 108' ' ' GLN . . . . . 0.556 ' O ' ' N ' ' C' ' 112' ' ' GLY . 91.4 mt-30 -64.0 -40.97 97.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.85 97.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 0.0 111.147 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 1.1 mp -71.86 -49.87 34.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.356 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 90.2 mt -87.91 -0.05 56.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.715 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 112' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . . . . . . 0 CA--C 1.522 0.51 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.976 0.417 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.75 -40.47 95.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.496 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.473 ' O ' ' O ' ' C' ' 12' ' ' LEU . 75.4 t -63.08 -41.05 91.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.127 0.489 . . . . 0.0 110.509 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.05 -38.16 90.09 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.599 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -82.4 -38.55 23.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' C' ' 9' ' ' VAL . 58.3 mt -100.57 135.45 41.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.989 0.423 . . . . 0.0 110.594 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 66.7 p -81.32 164.95 21.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 57.4 mp0 -61.99 -41.85 98.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.237 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -62.56 -44.72 95.63 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.146 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -62.29 -38.88 91.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.023 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -60.49 -41.28 93.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.109 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -60.47 -44.66 95.67 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.353 0.597 . . . . 0.0 110.489 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.19 -38.77 92.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.232 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.99 -38.75 89.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.29 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -59.32 -45.0 92.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.433 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.57 95.01 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.53 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.6 93.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.452 0.644 . . . . 0.0 110.262 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -61.2 -42.19 98.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.679 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -59.32 -56.27 24.16 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.423 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 14.2 tt -61.11 -24.02 31.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.823 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.13 -39.78 86.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.018 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 26.4 m -87.03 15.8 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.319 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.48 122.59 17.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.563 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.72 6.72 89.2 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.29 112.78 2.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.815 0.34 . . . . 0.0 110.541 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.48 -40.55 89.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.799 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -91.65 3.88 54.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.638 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 68.55 28.67 73.04 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 93.3 p -150.6 164.12 36.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.32 . . . . 0.0 110.566 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 97.8 mt -76.19 120.28 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.386 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 49.7 m -119.26 -170.79 1.99 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.477 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.1 p -63.16 -36.03 82.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.481 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -44.17 97.03 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.997 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 40' ' ' GLU . . . . . 0.434 ' OE1' ' N ' ' C' ' 40' ' ' GLU . 20.1 mp0 -61.6 -43.7 98.38 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.746 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 48.2 tp -68.7 -37.38 79.48 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.264 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.04 -37.59 91.8 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -59.33 -39.89 84.54 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.365 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.54 -47.68 88.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.48 0.657 . . . . 0.0 110.114 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 60.0 mtt -63.57 -40.69 97.62 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.373 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.12 -37.89 86.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.491 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 5.2 tpp -58.34 -39.03 78.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.808 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' C' ' 48' ' ' LEU . 3.7 mm? -69.58 -13.1 62.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.711 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.93 10.56 45.79 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -88.81 158.51 18.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.776 0.322 . . . . 0.0 110.398 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -129.76 72.06 82.01 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.511 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -73.44 154.8 50.74 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.683 2.256 . . . . 0.0 112.518 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 30.9 p -95.55 143.27 25.83 Favored Pre-proline 0 N--CA 1.446 -0.646 0 C-N-CA 119.699 -0.801 . . . . 0.0 110.963 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -56.15 -31.31 82.99 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.301 2.001 . . . . 0.0 112.432 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 55' ' ' GLU . . . . . 0.447 ' O ' ' OE1' ' C' ' 59' ' ' GLU . 21.0 tp10 -61.44 -47.32 86.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.252 -178.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -73.56 -31.29 63.56 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.678 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.37 -42.01 93.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.859 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -69.25 -41.08 77.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.435 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 59' ' ' GLU . . . . . 0.487 ' N ' ' OE1' ' C' ' 59' ' ' GLU . 1.6 mp0 -64.18 -42.35 96.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 57.8 ttm -60.49 -46.02 91.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.427 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 3.9 mm -62.84 -43.25 98.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.689 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -59.94 -41.26 91.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.75 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 63' ' ' GLU . . . . . 0.414 ' OE1' ' O ' ' C' ' 59' ' ' GLU . 0.7 OUTLIER -64.68 -41.8 95.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.89 179.845 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 76.1 t -79.11 -32.34 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.041 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 46.9 t0 -42.55 143.36 0.68 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.535 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 66' ' ' GLU . . . . . 0.557 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 5.6 tp10 -86.3 -47.62 9.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.291 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 50.4 p-10 -101.88 1.23 36.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.272 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.23 23.73 76.19 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 69' ' ' SER . . . . . 0.51 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 93.5 p -67.67 -16.9 64.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.776 0.322 . . . . 0.0 110.846 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.16 -4.0 82.66 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 68.7 p -136.44 163.59 30.12 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 121.169 -0.212 . . . . 0.0 110.716 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 72' ' ' VAL . . . . . 0.649 HG23 ' O ' ' C' ' 72' ' ' VAL . 32.6 m -125.82 109.09 20.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.448 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.94 -170.75 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.52 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -58.44 -48.71 79.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -60.69 -46.97 88.33 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.737 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -69.04 -38.27 79.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.973 0.416 . . . . 0.0 110.979 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -59.88 -47.73 84.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.6 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 10.4 tp -62.3 -40.79 97.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.317 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.28 -41.22 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.709 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 80' ' ' MET . . . . . 0.451 ' SD ' HG11 ' C' ' 72' ' ' VAL . 63.5 mtp -59.62 -44.18 93.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 7.7 mmt -63.2 -44.32 95.68 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.905 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 89.5 t -68.75 -40.55 81.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.634 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.424 -179.125 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 37.3 mm . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.942 0.401 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 43.8 t -82.74 144.17 30.38 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.848 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.07 99.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.487 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -60.14 -40.61 90.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.533 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.26 96.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.617 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 13.6 ttp -63.57 -42.92 98.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.864 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 92.3 mtp -65.32 -38.45 90.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.314 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 108' ' ' GLN . . . . . 0.564 ' O ' ' N ' ' C' ' 112' ' ' GLY . 11.5 mm-40 -60.54 -42.53 96.69 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.674 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.46 98.78 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.658 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.19 -41.24 90.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.022 0.439 . . . . 0.0 111.015 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 70.4 mt -98.19 9.22 43.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.436 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 112' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . . . . . . 0 CA--C 1.522 0.497 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.772 0.32 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.55 -44.76 95.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.112 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.22 -43.69 98.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.782 0.325 . . . . 0.0 110.822 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.55 -40.18 93.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.786 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -80.36 -38.81 29.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.035 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 32.1 mt -82.77 146.2 29.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.647 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 43.5 p -118.95 179.54 4.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.479 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -59.11 -39.3 81.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.329 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -61.48 -45.36 94.59 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.527 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -64.17 -39.66 94.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.398 0.618 . . . . 0.0 110.403 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -67.24 -37.98 84.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.912 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -59.57 -49.0 79.47 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.391 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -65.15 -34.38 78.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.386 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.27 -45.17 92.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.801 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -59.83 -44.54 93.99 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.878 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.38 87.56 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.441 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.09 94.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.61 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -61.49 -43.72 98.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.657 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -59.97 -41.4 91.88 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.488 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.0 -41.07 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.965 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -61.85 -45.84 92.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.907 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 27.7 m -74.96 -17.48 16.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.957 0.408 . . . . 0.0 110.525 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.56 111.22 3.5 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.669 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.77 -9.15 58.38 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.91 120.71 17.89 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.636 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -68.07 -41.97 81.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.625 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.58 -22.09 64.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.643 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.82 10.1 67.41 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 91.4 p -148.43 173.38 13.15 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.785 0.326 . . . . 0.0 110.572 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 69.0 mt -76.7 123.79 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 83.0 p -118.39 -175.8 2.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.695 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 38' ' ' THR . . . . . 0.414 HG22 ' H ' ' C' ' 38' ' ' THR . 0.6 OUTLIER -59.47 -29.26 67.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.358 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -61.41 -44.68 96.71 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.711 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -66.26 -41.13 90.36 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.405 0.622 . . . . 0.0 110.369 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 41' ' ' LEU . . . . . 0.532 HD13 HD11 ' C' ' 61' ' ' ILE . 4.9 mt -68.0 -36.38 79.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.675 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.73 -44.11 97.25 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -61.71 -45.14 95.23 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.968 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.87 -44.58 98.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.441 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 45' ' ' MET . . . . . 0.427 ' C ' ' O ' ' C' ' 50' ' ' GLN . 22.2 mmt -63.67 -38.47 91.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.619 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -58.47 -45.62 88.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.917 0.389 . . . . 0.0 110.422 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 74.0 mtm -65.32 -36.18 83.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.438 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.73 -8.67 37.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.66 9.61 52.29 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 50' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' C' ' 45' ' ' MET . 20.4 mm-40 -122.88 134.2 54.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.874 0.369 . . . . 0.0 110.629 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 51' ' ' ASN . . . . . 0.514 ' N ' ' OD1' ' C' ' 51' ' ' ASN . 8.1 p-10 -138.58 69.97 45.26 Favored Pre-proline 0 C--N 1.326 -0.45 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.357 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.0 155.43 68.23 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 123.21 2.606 . . . . 0.0 111.717 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 26.8 p -59.05 138.57 87.79 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 120.009 -0.676 . . . . 0.0 110.996 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.71 -38.58 77.21 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 122.301 2.001 . . . . 0.0 112.258 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -61.35 -45.36 94.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.347 . . . . 0.0 110.677 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.4 -39.35 93.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.684 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.79 -42.6 99.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -63.26 -42.04 99.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.779 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.31 -43.06 99.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.966 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 60' ' ' MET . . . . . 0.703 ' O ' HG23 ' C' ' 64' ' ' VAL . 99.4 mtp -65.45 -39.56 92.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.951 0.405 . . . . 0.0 110.663 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 61' ' ' ILE . . . . . 0.532 HD11 HD13 ' C' ' 41' ' ' LEU . 1.2 mp -62.61 -40.59 88.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.385 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -60.57 -46.08 91.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.432 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -68.62 -39.14 80.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.82 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 64' ' ' VAL . . . . . 0.703 HG23 ' O ' ' C' ' 60' ' ' MET . 77.7 t -62.79 -39.89 86.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.452 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.523 ' OD2' ' N ' ' C' ' 71' ' ' THR . 97.6 m-20 -53.6 119.75 5.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 0.0 110.44 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 41.7 mp0 -67.68 -40.69 84.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.775 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -91.36 -0.09 57.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.26 25.31 73.57 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 99.0 p -61.17 -20.52 62.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.904 0.383 . . . . 0.0 110.716 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.23 -9.36 77.76 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 71' ' ' THR . . . . . 0.523 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 68.4 p -137.91 172.43 12.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.636 0.255 . . . . 0.0 110.548 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 72.3 t -104.88 107.14 21.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.221 0.534 . . . . 0.0 110.551 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 45.0 p-10 -96.43 -169.45 1.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.653 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -56.76 -49.75 74.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.009 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.88 -46.81 87.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.005 0.431 . . . . 0.0 111.087 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.458 ' OE1' ' O ' ' C' ' 71' ' ' THR . 7.6 mt-10 -65.62 -38.76 90.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.425 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -59.94 -48.11 83.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.244 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 78' ' ' LEU . . . . . 0.525 ' O ' HG23 ' C' ' 82' ' ' VAL . 1.0 OUTLIER -57.43 -40.3 78.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.97 -179.515 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.99 -47.82 91.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-O 121.332 0.587 . . . . 0.0 110.545 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 89.5 mtp -63.59 -39.99 95.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.552 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 3.0 ttt -60.9 -38.86 87.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 82' ' ' VAL . . . . . 0.525 HG23 ' O ' ' C' ' 78' ' ' LEU . 57.9 t -60.43 -38.08 76.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.117 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 83' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' C' ' 83' ' ' ARG . 31.6 ttp-105 . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.589 -178.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 78.7 mt . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 120.707 0.289 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 66.6 p -86.14 167.55 14.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.596 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.94 97.07 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.15 0.5 . . . . 0.0 110.286 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.52 -39.22 93.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.185 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.32 -38.94 88.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.341 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 54.3 ttm -59.48 -47.71 84.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.412 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 65.4 ttp -60.8 -44.3 97.03 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.123 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -63.35 -44.04 95.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.456 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.59 -40.76 97.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.442 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.51 -44.64 95.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.119 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 3.5 tp -76.51 -36.49 57.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.391 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.783 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.728 0.299 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 8' ' ' ALA . . . . . 0.441 ' HB2' HG21 ' C' ' 82' ' ' VAL . . . -60.81 -41.26 95.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.386 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.489 ' O ' ' O ' ' C' ' 12' ' ' LEU . 79.3 t -63.26 -40.77 90.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.069 0.461 . . . . 0.0 109.982 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.63 -46.31 90.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.351 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -72.59 -41.33 65.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.816 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' C' ' 9' ' ' VAL . 12.3 mt -117.57 133.64 55.74 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.194 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 58.1 p -81.97 163.56 22.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -62.98 -40.29 97.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.344 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 15' ' ' GLU . . . . . 0.45 ' O ' ' OE2' ' C' ' 19' ' ' GLU . 40.2 mp0 -63.67 -41.07 98.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.636 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -62.99 -41.19 99.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.334 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -61.39 -40.68 95.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.757 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.25 -44.21 97.62 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.518 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 19' ' ' GLU . . . . . 0.45 ' OE2' ' O ' ' C' ' 15' ' ' GLU . 0.8 OUTLIER -70.72 -42.49 70.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.873 0.368 . . . . 0.0 110.805 179.476 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -61.45 -25.9 67.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.606 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -54.89 -36.74 65.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.399 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.12 -41.61 97.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.933 0.397 . . . . 0.0 110.25 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.23 -40.39 95.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.102 0.477 . . . . 0.0 110.268 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 24' ' ' PHE . . . . . 0.62 ' CD2' ' CE2' ' C' ' 74' ' ' PHE . 62.9 t80 -62.66 -42.47 99.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.226 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -57.65 -39.58 77.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.027 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 26' ' ' ILE . . . . . 0.496 ' O ' HD23 ' C' ' 29' ' ' LEU . 96.7 mt -64.0 -41.8 93.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.204 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.19 -35.46 71.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 33.3 m -102.37 28.23 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 29' ' ' LEU . . . . . 0.614 HD12 ' O ' ' C' ' 29' ' ' LEU . 2.6 pp -63.07 122.76 16.86 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.598 0.713 . . . . 0.0 110.639 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 62.92 22.85 65.07 Favored Glycine 0 CA--C 1.523 0.549 0 C-N-CA 120.293 -0.956 . . . . 0.0 110.712 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.89 124.47 21.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 110.678 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.08 -39.98 78.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.768 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -91.97 -23.73 19.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.727 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.92 -5.81 79.16 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 94.4 p -122.41 174.99 6.68 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.76 0.314 . . . . 0.0 110.608 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 mm -82.23 129.16 37.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 9.5 t -131.44 -169.59 2.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.408 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 70.6 p -60.76 -36.38 78.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.676 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.83 -44.97 91.65 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.399 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -70.8 -40.67 72.39 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.994 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 41' ' ' LEU . . . . . 0.433 ' O ' ' SD ' ' C' ' 45' ' ' MET . 0.6 OUTLIER -60.09 -27.0 66.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.825 -179.842 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.38 -34.31 74.35 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.399 -1.081 . . . . 0.0 110.399 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -62.26 -41.84 98.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.771 0.319 . . . . 0.0 110.443 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 77.4 t -63.77 -44.77 98.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.429 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 45' ' ' MET . . . . . 0.61 ' SD ' ' N ' ' C' ' 45' ' ' MET . 0.0 OUTLIER -61.95 -41.8 98.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.745 0.307 . . . . 0.0 111.141 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -61.43 -44.04 97.83 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.428 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 78.2 mtm -65.68 -39.29 91.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.324 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 2.6 mp -70.76 -13.16 61.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.15 4.11 78.33 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -95.0 150.03 20.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.36 . . . . 0.0 110.612 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -138.41 70.31 46.43 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 52' ' ' PRO . . . . . 0.456 ' HG2' HD21 ' C' ' 57' ' ' LEU . 57.3 Cg_endo -76.31 156.35 37.21 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.85 2.366 . . . . 0.0 112.618 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 53.9 p -69.68 153.07 95.94 Favored Pre-proline 0 N--CA 1.451 -0.422 0 C-N-CA 120.024 -0.67 . . . . 0.0 111.067 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -54.87 -38.84 92.37 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 122.088 1.859 . . . . 0.0 112.398 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -62.71 -42.42 99.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.862 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.5 -40.47 95.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.628 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 57' ' ' LEU . . . . . 0.456 HD21 ' HG2' ' C' ' 52' ' ' PRO . 71.3 mt -62.84 -40.27 96.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -60.07 -45.38 93.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.45 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.51 -38.12 88.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.83 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 34.4 tpp -59.78 -44.48 93.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.491 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 61' ' ' ILE . . . . . 0.407 HD11 HD12 ' C' ' 41' ' ' LEU . 97.8 mt -66.57 -40.21 85.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -58.51 -43.04 88.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.346 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -71.44 -40.62 70.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.738 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 64' ' ' VAL . . . . . 0.554 HG13 ' SD ' ' C' ' 80' ' ' MET . 63.5 t -67.27 -39.91 83.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.295 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.474 ' OD2' ' N ' ' C' ' 70' ' ' GLY . 80.8 m-20 -50.73 130.5 24.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.132 0.491 . . . . 0.0 110.643 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -68.82 -41.92 77.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.308 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -106.09 1.46 26.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.53 23.99 77.18 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 93.0 p -62.4 -19.86 63.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.961 0.41 . . . . 0.0 110.683 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 70' ' ' GLY . . . . . 0.474 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 95.44 -11.93 68.29 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 63.0 p -137.22 162.5 33.32 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.432 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.72 115.91 51.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.888 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.85 179.28 6.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.518 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 74' ' ' PHE . . . . . 0.62 ' CE2' ' CD2' ' C' ' 24' ' ' PHE . 0.2 OUTLIER -58.18 -50.64 72.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.573 -179.483 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.84 -46.6 89.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.888 0.375 . . . . 0.0 111.027 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -66.03 -37.41 85.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.363 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -59.1 -47.47 85.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.37 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.65 -41.55 90.83 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.064 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 55.4 t -61.84 -43.58 97.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.473 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 80' ' ' MET . . . . . 0.554 ' SD ' HG13 ' C' ' 64' ' ' VAL . 12.7 mmm -57.51 -45.85 84.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.068 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 3.2 mtt -61.89 -45.56 93.19 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.769 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 82' ' ' VAL . . . . . 0.441 HG21 ' HB2' ' C' ' 8' ' ' ALA . 64.4 t -63.13 -46.09 96.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.884 0.373 . . . . 0.0 110.79 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.747 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.766 0.317 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 82.8 p -73.66 161.2 30.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.605 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.54 99.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.636 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -64.53 -43.16 94.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.455 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.59 -40.64 95.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.546 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 64.9 ttp -61.93 -44.13 97.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.386 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -41.52 95.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.526 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 108' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' C' ' 112' ' ' GLY . 71.3 mt-30 -62.1 -40.97 97.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.711 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.03 93.5 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.674 -0.411 . . . . 0.0 111.055 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 18.5 mt -67.89 -43.44 79.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.197 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 9.3 mp -76.09 -38.09 57.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.708 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 112' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . . . . . . 0 CA--C 1.523 0.558 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.709 0.29 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.3 99.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.11 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.457 ' O ' ' O ' ' C' ' 12' ' ' LEU . 74.9 t -64.93 -40.09 87.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.423 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.34 -42.42 98.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.861 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -79.59 -40.54 29.12 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.505 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.457 ' O ' ' O ' ' C' ' 9' ' ' VAL . 1.1 mp -117.38 143.77 45.63 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.795 -179.457 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 68.3 p -107.47 163.27 13.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.695 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -61.97 -39.72 93.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.801 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.52 -41.55 98.92 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.332 0.587 . . . . 0.0 110.29 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -64.23 -38.75 92.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.155 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -59.35 -41.67 89.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.143 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -59.41 -46.38 88.86 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.04 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -68.32 -40.39 81.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.153 0.501 . . . . 0.0 110.644 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -61.79 -23.03 65.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.478 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -54.54 -38.38 66.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.012 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.1 98.02 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.367 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.86 95.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.406 0.622 . . . . 0.0 110.482 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 24' ' ' PHE . . . . . 0.459 ' CE2' ' CE2' ' C' ' 74' ' ' PHE . 57.5 t80 -66.78 -38.81 87.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.562 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -58.87 -49.4 77.9 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.914 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 35.9 pt -65.8 -31.41 53.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.476 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.21 -46.99 47.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.03 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 2.0 p -80.54 -2.28 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.438 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 29' ' ' LEU . . . . . 0.441 ' O ' ' OE2' ' C' ' 40' ' ' GLU . 60.9 tp -56.03 129.75 41.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.109 0.481 . . . . 0.0 110.35 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.65 -13.54 67.02 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.52 97.99 9.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.972 0.415 . . . . 0.0 110.198 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.81 -21.59 66.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.606 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.42 -21.27 66.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.422 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.12 -4.2 84.54 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 64.6 m -132.35 149.62 52.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 110.796 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 10.4 pt -57.96 122.12 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.052 0.453 . . . . 0.0 110.585 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 73.6 p -114.83 -178.65 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.395 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 74.2 p -63.93 -35.33 80.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.382 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -61.78 -46.51 89.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.571 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 40' ' ' GLU . . . . . 0.441 ' OE2' ' O ' ' C' ' 29' ' ' LEU . 1.3 mm-40 -68.79 -45.06 72.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.578 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 41' ' ' LEU . . . . . 0.534 ' O ' ' SD ' ' C' ' 45' ' ' MET . 86.4 mt -62.26 -28.72 69.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.873 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.63 -38.59 91.89 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -61.45 -39.49 91.02 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.773 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.19 -45.53 98.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.403 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 45' ' ' MET . . . . . 0.597 ' SD ' ' N ' ' C' ' 45' ' ' MET . 0.0 OUTLIER -61.17 -42.09 97.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.772 0.32 . . . . 0.0 110.68 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.54 -39.45 93.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.395 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 51.4 ttm -60.99 -41.27 96.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.201 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 tp -73.18 -11.45 60.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.57 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.26 -5.95 59.33 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -88.12 139.23 30.72 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 120.923 0.392 . . . . 0.0 110.795 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -71.01 148.15 94.27 Favored Pre-proline 0 C--N 1.327 -0.409 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.623 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.85 141.21 53.13 Favored 'Trans proline' 0 N--CA 1.491 1.382 0 C-N-CA 122.041 1.828 . . . . 0.0 112.112 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 1.1 p -138.27 106.18 7.9 Favored Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.991 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.27 -21.43 35.8 Favored 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 121.912 1.741 . . . . 0.0 112.331 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -73.27 -49.36 28.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.052 0.453 . . . . 0.0 111.486 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.56 -37.17 60.15 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.055 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 69.0 mt -62.28 -43.07 99.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.788 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -67.79 -38.66 83.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.126 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -69.91 -41.73 74.28 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.707 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 60' ' ' MET . . . . . 0.789 ' O ' HG22 ' C' ' 64' ' ' VAL . 14.2 tpt -66.87 -48.51 68.55 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.625 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 17.8 tt -63.15 -34.49 67.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -68.69 -46.56 68.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.34 -46.31 87.22 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.293 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 64' ' ' VAL . . . . . 0.789 HG22 ' O ' ' C' ' 60' ' ' MET . 35.1 m -75.14 -15.71 15.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.616 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.553 ' OD2' ' N ' ' C' ' 69' ' ' SER . 51.7 t0 -45.66 151.03 0.45 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.263 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 66' ' ' GLU . . . . . 0.549 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 13.5 tm-20 -78.89 -49.88 12.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.856 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 67' ' ' ASP . . . . . 0.468 ' CG ' ' HG ' ' C' ' 69' ' ' SER . 35.5 p30 -114.38 7.03 16.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.32 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.21 23.28 77.83 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 120.318 -0.944 . . . . 0.0 111.226 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 69' ' ' SER . . . . . 0.553 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 51.0 m -65.42 -16.47 63.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.4 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.25 -12.77 69.11 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 78.5 p -135.54 164.0 28.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.629 0.252 . . . . 0.0 110.475 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 59.9 t -109.85 105.98 19.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.551 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.01 177.88 7.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.487 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 74' ' ' PHE . . . . . 0.459 ' CE2' ' CE2' ' C' ' 24' ' ' PHE . 62.6 m-85 -60.12 -49.0 79.37 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.982 0.42 . . . . 0.0 110.763 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -65.01 -39.71 93.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.572 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.88 -39.93 95.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.792 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -60.33 -47.37 86.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.525 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.63 -48.02 83.63 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.513 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 79' ' ' VAL . . . . . 0.508 ' O ' HG22 ' C' ' 82' ' ' VAL . 64.0 t -69.54 -45.56 77.96 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.602 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 64.4 ttp -58.81 -25.26 63.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -53.02 -37.93 61.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.437 -179.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 82' ' ' VAL . . . . . 0.508 HG22 ' O ' ' C' ' 79' ' ' VAL . 1.6 m -72.08 -35.72 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.38 . . . . 0.0 110.755 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.248 -179.642 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 82.0 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.72 0.295 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 2.2 m -65.09 158.9 24.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.006 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.55 96.76 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.942 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 104' ' ' ASP . . . . . 0.461 ' CG ' ' N ' ' C' ' 105' ' ' ALA . 0.6 OUTLIER -67.61 -44.26 78.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.34 -179.728 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 105' ' ' ALA . . . . . 0.461 ' N ' ' CG ' ' C' ' 104' ' ' ASP . . . -61.78 -38.87 89.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.437 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 37.8 ttm -59.36 -46.36 88.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.528 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 11.6 tpp -60.88 -46.8 89.17 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.673 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -62.44 -41.6 98.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.635 -178.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.14 99.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 10.2 tp -73.75 -50.27 21.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.445 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 62.8 tp -62.86 -48.26 79.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.787 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 -179.059 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.066 0 N-CA-C 110.519 -0.178 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.21 92.19 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 121.154 0.502 . . . . 0.0 110.353 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 60.5 t -71.34 -40.29 73.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.995 0.426 . . . . 0.0 110.937 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -61.03 -48.82 80.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.948 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.05 -38.04 87.36 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.176 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 39.9 mt -62.35 136.96 58.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.772 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.1 p -95.07 167.57 11.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.68 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.24 -39.66 91.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.405 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.44 -46.07 91.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -66.22 -41.04 90.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.464 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -67.3 -41.77 84.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.232 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -61.98 -45.13 94.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.604 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.65 -46.4 89.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.438 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -63.27 -41.53 99.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.691 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -63.28 -42.93 99.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.616 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.24 -44.07 97.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.489 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.71 -39.75 95.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.447 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -59.2 -46.59 88.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.78 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -58.74 -43.05 90.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.082 0.468 . . . . 0.0 110.541 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 87.3 mt -59.99 -43.86 93.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.822 0.344 . . . . 0.0 110.643 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -69.82 -37.0 76.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.06 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.15 -16.19 19.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.123 -178.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.51 128.07 34.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.198 -179.34 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.1 -8.71 45.63 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.39 119.65 36.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.829 0.347 . . . . 0.0 110.487 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -65.45 -38.56 90.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.808 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -64.45 -25.92 68.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.526 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.77 14.73 57.7 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 88.0 p -136.11 168.52 19.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.791 0.329 . . . . 0.0 110.612 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 3.9 pt -85.56 119.51 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.536 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 97.4 p -110.61 -162.2 0.79 Allowed 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.7 p -66.23 -32.04 73.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.574 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -59.99 -44.66 94.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.951 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 37.3 mp0 -64.92 -41.47 95.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.995 0.426 . . . . 0.0 110.518 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -37.35 87.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.207 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.36 -40.77 99.1 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -61.94 -42.43 99.1 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.1 0.476 . . . . 0.0 109.961 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 63.2 t -62.66 -42.94 97.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.217 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 23.6 mmt -61.99 -37.75 86.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.109 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -60.63 -40.58 92.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.07 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 22.8 mtt -62.61 -39.12 92.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.94 0.4 . . . . 0.0 110.282 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 18.9 mt -72.68 -10.02 59.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.504 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.9 18.74 49.97 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -125.97 148.4 49.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.889 0.376 . . . . 0.0 110.355 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.47 71.54 31.87 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.582 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -60.66 152.07 71.63 Favored 'Trans proline' 0 C--N 1.304 -1.763 0 C-N-CA 122.959 2.44 . . . . 0.0 112.098 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.57 155.15 61.39 Favored Pre-proline 0 N--CA 1.453 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.585 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -60.57 -32.18 93.15 Favored 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.541 2.161 . . . . 0.0 112.351 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -62.87 -45.83 90.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.629 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -63.96 -39.66 94.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.732 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 98.5 mt -62.88 -40.17 96.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.616 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -64.12 -40.99 97.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.042 0.448 . . . . 0.0 110.445 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -71.74 -39.5 70.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.78 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 59.3 ttm -62.15 -49.27 76.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.164 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 14.4 tt -69.49 -31.59 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.615 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.34 -43.99 96.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.796 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.54 -41.4 93.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.804 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 64' ' ' VAL . . . . . 0.522 ' O ' ' NH2' ' C' ' 83' ' ' ARG . 75.7 t -68.15 -39.48 81.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.594 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 23.7 t0 -39.02 152.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.401 -179.354 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 66' ' ' GLU . . . . . 0.528 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 2.5 tt0 -91.49 -41.83 10.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.035 -179.212 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -104.04 -1.65 27.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.24 15.78 74.91 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 46.8 m -68.14 -18.03 64.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 110.486 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.32 -4.01 82.38 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 88.7 m -131.42 137.66 48.74 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.712 0.291 . . . . 0.0 110.482 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 73.2 t -117.08 128.04 74.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.736 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 73' ' ' ASP . . . . . 0.474 ' CG ' ' H ' ' C' ' 74' ' ' PHE . 35.3 t0 -104.95 -171.78 1.98 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.746 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 74' ' ' PHE . . . . . 0.474 ' H ' ' CG ' ' C' ' 73' ' ' ASP . 0.2 OUTLIER -59.56 -51.08 71.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.172 179.567 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -59.22 -50.52 73.71 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.761 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.23 -40.05 96.35 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.719 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -59.17 -48.66 80.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.869 0.366 . . . . 0.0 111.186 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -53.7 49.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.316 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 79' ' ' VAL . . . . . 0.425 HG23 ' N ' ' C' ' 80' ' ' MET . 34.4 m -72.87 -37.7 55.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.227 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 80' ' ' MET . . . . . 0.466 ' SD ' ' CG1' ' C' ' 64' ' ' VAL . 17.3 tmm? -61.37 -39.66 91.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.411 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 81' ' ' MET . . . . . 0.463 ' C ' ' SD ' ' C' ' 81' ' ' MET . 0.0 OUTLIER -50.55 -49.0 57.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.653 -178.843 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 73.0 t -69.6 -44.59 79.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.907 0.384 . . . . 0.0 110.958 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 83' ' ' ARG . . . . . 0.522 ' NH2' ' O ' ' C' ' 64' ' ' VAL . 23.2 ttp180 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 84.1 mt . . . . . 0 CA--C 1.523 -0.06 0 CA-C-O 121.002 0.429 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 67.8 m -61.75 151.33 34.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.705 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.06 78.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.509 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -58.73 -44.03 90.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.519 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.71 98.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.896 0.379 . . . . 0.0 110.671 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 93.4 mmm -63.23 -44.57 94.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.749 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 94.5 mtp -65.49 -42.56 92.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -66.17 -41.75 89.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.67 -40.65 95.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.75 -51.57 58.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.985 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 85.1 mt -65.04 -42.13 94.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.981 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.764 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.946 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.058 0 CA-C-O 120.748 0.309 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 8' ' ' ALA . . . . . 0.652 ' HB1' HG21 ' C' ' 82' ' ' VAL . . . -60.04 -41.58 92.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.167 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.461 ' O ' HD23 ' C' ' 12' ' ' LEU . 73.3 t -63.56 -41.26 92.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.25 0.548 . . . . 0.0 110.118 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -60.25 -35.43 75.47 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.441 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -91.25 10.16 28.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.55 -178.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.676 HD12 ' N ' ' C' ' 13' ' ' THR . 0.7 OUTLIER -67.27 152.29 45.99 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 179.618 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 13' ' ' THR . . . . . 0.676 ' N ' HD12 ' C' ' 12' ' ' LEU . 71.9 p -110.26 148.67 31.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.877 0.37 . . . . 0.0 110.607 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 14' ' ' GLU . . . . . 0.43 ' O ' ' OD1' ' C' ' 18' ' ' ASN . 98.8 mt-10 -68.18 -38.23 81.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.912 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -60.47 -45.25 94.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.502 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -68.3 -40.32 81.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.956 0.408 . . . . 0.0 110.393 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.9 -41.68 99.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 18' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' C' ' 14' ' ' GLU . 27.2 m120 -60.88 -42.31 97.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.802 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -45.8 86.84 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.001 0.429 . . . . 0.0 110.285 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.618 ' CD2' ' CZ ' ' C' ' 77' ' ' PHE . 87.4 t80 -62.79 -38.57 91.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.367 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -57.01 -46.53 82.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.409 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.88 -45.03 83.56 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.111 -0.635 . . . . 0.0 110.435 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.02 -24.97 67.65 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.033 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 24' ' ' PHE . . . . . 0.758 ' O ' HG22 ' C' ' 28' ' ' VAL . 85.4 t80 -55.69 -38.06 69.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.259 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -60.57 -44.06 96.61 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.607 -179.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 91.4 mt -72.39 -39.72 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.739 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 27' ' ' PHE . . . . . 0.467 ' O ' ' OE2' ' C' ' 40' ' ' GLU . 0.5 OUTLIER -61.21 -28.56 69.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 -179.436 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.758 HG22 ' O ' ' C' ' 24' ' ' PHE . 16.7 m -112.07 27.06 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 110.496 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 29' ' ' LEU . . . . . 0.522 HD13 ' N ' ' C' ' 30' ' ' GLY . 0.2 OUTLIER -63.96 115.96 5.38 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.356 -179.576 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 30' ' ' GLY . . . . . 0.522 ' N ' HD13 ' C' ' 29' ' ' LEU . . . 86.51 -3.18 87.27 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.3 96.51 10.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.177 0.513 . . . . 0.0 110.43 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -69.74 -16.92 63.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.363 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 33' ' ' ASP . . . . . 0.422 ' O ' ' OD1' ' C' ' 33' ' ' ASP . 48.4 t0 -65.44 -27.92 68.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.598 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.52 10.82 85.6 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.706 -0.957 . . . . 0.0 110.706 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 58.4 m -136.5 160.52 38.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.725 0.297 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 89.5 mt -86.85 114.9 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.361 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 85.5 p -109.48 -177.76 3.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.519 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.2 p -63.22 -37.4 87.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.206 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.2 -40.68 96.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.64 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 40' ' ' GLU . . . . . 0.467 ' OE2' ' O ' ' C' ' 27' ' ' PHE . 37.4 tp10 -64.03 -43.84 94.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.453 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.12 -41.4 94.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.3 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.65 -39.32 96.42 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.481 -1.047 . . . . 0.0 110.481 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.77 -44.22 97.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.961 0.41 . . . . 0.0 110.263 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 68.4 t -62.22 -44.04 98.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.132 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 26.2 mmt -65.02 -35.35 80.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.107 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 49.1 ttm-85 -56.19 -47.59 78.04 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 72.6 mtm -65.03 -38.21 90.15 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.513 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.39 -12.26 5.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.588 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.69 9.06 61.66 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -109.63 148.37 31.45 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -128.51 71.88 80.49 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.094 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 52' ' ' PRO . . . . . 0.445 ' HG2' HD11 ' C' ' 57' ' ' LEU . 54.4 Cg_endo -73.84 150.47 44.27 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.668 2.245 . . . . 0.0 112.032 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 69.4 p -81.06 153.81 72.32 Favored Pre-proline 0 C--N 1.324 -0.542 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.517 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.47 -30.81 87.29 Favored 'Trans proline' 0 N--CA 1.498 1.74 0 C-N-CA 121.866 1.711 . . . . 0.0 112.367 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.78 -47.46 86.24 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.366 -178.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 56' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' C' ' 57' ' ' LEU . 4.9 pt-20 -72.41 -37.33 68.7 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.321 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 57' ' ' LEU . . . . . 0.445 HD11 ' HG2' ' C' ' 52' ' ' PRO . 85.6 mt -63.64 -42.11 98.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.753 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -65.67 -43.07 90.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.025 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -64.41 -41.37 96.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 26.3 ttt -62.79 -45.63 91.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.686 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 61' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' C' ' 65' ' ' ASP . 92.3 mt -65.6 -41.96 91.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.743 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -57.58 -43.51 84.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.5 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -62.99 -42.36 99.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.135 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 64' ' ' VAL . . . . . 0.441 ' O ' HG12 ' C' ' 64' ' ' VAL . 75.3 t -81.83 -12.84 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.792 -179.575 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' C' ' 69' ' ' SER . 52.3 t0 -61.97 137.55 58.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.276 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 66' ' ' GLU . . . . . 0.523 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 8.8 tm-20 -88.95 -40.27 13.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.164 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.76 -1.14 28.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.19 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 68' ' ' GLY . . . . . 0.522 ' H ' ' CG ' ' C' ' 65' ' ' ASP . . . 66.35 22.02 70.8 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 69' ' ' SER . . . . . 0.535 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 99.9 p -72.0 -12.66 61.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.693 0.282 . . . . 0.0 110.799 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.12 5.34 89.76 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 58.2 p -131.0 164.25 25.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.614 0.245 . . . . 0.0 110.586 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 47.0 t -120.11 117.51 53.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.876 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -104.21 -169.65 1.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.508 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 74' ' ' PHE . . . . . 0.467 ' CZ ' ' CE1' ' C' ' 24' ' ' PHE . 29.7 m-85 -59.26 -42.99 92.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.026 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.38 -45.16 94.41 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.979 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -71.04 -28.95 64.75 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 121.181 0.515 . . . . 0.0 110.65 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 77' ' ' PHE . . . . . 0.618 ' CZ ' ' CD2' ' C' ' 20' ' ' PHE . 0.0 OUTLIER -64.11 -39.44 94.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.434 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 78' ' ' LEU . . . . . 0.449 ' O ' HG22 ' C' ' 82' ' ' VAL . 18.1 mt -59.86 -45.47 92.34 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.481 -179.097 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 79' ' ' VAL . . . . . 0.443 ' H ' HG13 ' C' ' 79' ' ' VAL . 0.8 OUTLIER -71.56 -30.09 37.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.14 -179.696 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 66.6 ttp -68.34 -42.21 79.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.981 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 6.3 tpt -63.99 -51.15 65.65 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.025 0.441 . . . . 0.0 111.1 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 82' ' ' VAL . . . . . 0.652 HG21 ' HB1' ' C' ' 8' ' ' ALA . 31.1 m -66.35 -30.84 51.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 61.4 ttt85 . . . . . 0 C--N 1.329 -0.296 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.036 179.735 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 87.3 mt . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.767 0.317 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 54.9 m -87.64 161.83 17.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.705 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.69 -41.18 94.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.5 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -62.17 -41.5 98.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.484 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.71 -41.02 98.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.633 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 106' ' ' MET . . . . . 0.434 ' C ' ' SD ' ' C' ' 106' ' ' MET . 15.2 tmm? -61.53 -44.71 96.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.544 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -47.59 81.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.348 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -62.41 -46.51 88.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.558 -179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.58 93.54 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.923 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.11 -47.81 72.94 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.63 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 43.0 tp -65.52 -45.14 84.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.381 -178.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.752 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.912 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.796 0.331 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.09 97.23 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.529 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.471 ' O ' ' O ' ' C' ' 12' ' ' LEU . 77.8 t -66.5 -40.95 87.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.009 0.433 . . . . 0.0 110.617 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -61.33 -29.41 69.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.984 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -91.74 -33.78 14.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.471 ' O ' ' O ' ' C' ' 9' ' ' VAL . 37.2 mt -100.29 142.64 31.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.084 0.468 . . . . 0.0 110.529 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 78.2 p -77.35 166.58 22.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.803 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -62.94 -36.21 82.68 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.086 0.47 . . . . 0.0 110.585 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.09 -44.06 95.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.164 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -63.61 -38.57 91.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.247 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.86 -47.18 68.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.009 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -61.94 -44.51 96.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -62.87 -38.3 90.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.378 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.427 ' CE2' HD13 ' C' ' 12' ' ' LEU . 5.1 m-85 -59.59 -42.71 93.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.748 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 21' ' ' LYS . . . . . 0.5 ' NZ ' ' CE1' ' C' ' 74' ' ' PHE . 9.2 mmtm -60.68 -48.18 82.93 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.728 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.75 -41.62 78.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.835 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.44 -45.21 95.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.852 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -61.3 -45.94 92.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.587 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -57.74 -40.41 79.59 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.588 0.555 . . . . 0.0 110.618 -179.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.43 -42.31 95.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.009 0.433 . . . . 0.0 110.6 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -58.83 -43.11 90.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.347 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 35.5 m -87.91 18.99 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.91 0.385 . . . . 0.0 110.603 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 tp -70.02 121.44 17.42 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.18 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.09 20.32 73.09 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.1 127.9 34.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.989 0.424 . . . . 0.0 110.455 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -79.83 -29.47 40.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.765 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -102.56 6.15 39.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.732 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.2 1.25 89.92 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 37.8 t -152.8 146.22 24.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 tt -53.5 141.2 8.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.497 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 49.6 m -123.23 176.55 6.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.727 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 38' ' ' THR . . . . . 0.419 HG23 ' N ' ' C' ' 39' ' ' LYS . 12.7 t -60.75 -36.68 79.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.758 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 39' ' ' LYS . . . . . 0.486 ' HG3' ' H ' ' C' ' 40' ' ' GLU . 0.0 OUTLIER -53.1 -48.46 67.77 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.213 0.53 . . . . 0.0 110.899 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 40' ' ' GLU . . . . . 0.486 ' H ' ' HG3' ' C' ' 39' ' ' LYS . 98.7 mt-10 -65.29 -40.73 94.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.091 0.472 . . . . 0.0 110.514 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.49 -39.53 84.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.375 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.5 -39.83 96.91 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -60.94 -40.36 92.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.0 0.428 . . . . 0.0 110.041 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 76.6 t -68.07 -40.56 83.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.534 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 23.4 mmt -60.98 -36.47 79.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.655 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -52.43 -36.66 54.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.393 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 8.7 mtt -63.59 -27.18 69.07 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.575 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 86.0 mt -85.67 3.08 42.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.468 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.21 3.98 86.82 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -98.97 127.07 44.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 110.542 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -136.96 60.4 28.75 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.323 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -71.72 160.34 48.36 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.932 2.421 . . . . 0.0 112.411 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.34 155.6 35.35 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.417 -179.205 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.28 -33.1 97.84 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.489 2.126 . . . . 0.0 112.058 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.93 -41.12 91.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.02 0.438 . . . . 0.0 110.377 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.73 -39.43 93.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.437 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.05 -41.23 97.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.575 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -65.58 -41.09 93.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.613 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -62.59 -42.25 99.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.238 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 93.0 mmm -63.54 -41.4 98.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.16 0.505 . . . . 0.0 110.603 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 7.7 mm -64.85 -42.51 95.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.952 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -57.71 -43.96 85.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.136 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -65.15 -42.24 93.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.939 0.399 . . . . 0.0 110.592 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 64' ' ' VAL . . . . . 0.531 HG11 ' SD ' ' C' ' 80' ' ' MET . 75.5 t -70.03 -39.74 77.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.809 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 52.2 t0 -51.29 143.22 11.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.428 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 66' ' ' GLU . . . . . 0.539 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 22.3 mm-40 -89.77 -42.03 11.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.058 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 55.2 p30 -102.73 -0.69 31.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.012 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 68' ' ' GLY . . . . . 0.401 ' H ' ' CG ' ' C' ' 65' ' ' ASP . . . 66.33 24.0 71.96 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 69' ' ' SER . . . . . 0.528 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 99.2 p -64.08 -19.85 65.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.837 0.351 . . . . 0.0 110.697 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.58 -8.82 78.33 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 76.3 p -131.7 163.8 27.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.453 0.168 . . . . 0.0 110.555 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 72' ' ' VAL . . . . . 0.47 HG12 ' HB2' ' C' ' 77' ' ' PHE . 16.5 t -110.61 111.48 36.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.0 0.429 . . . . 0.0 110.149 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -87.54 -178.48 6.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.596 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 74' ' ' PHE . . . . . 0.5 ' CE1' ' NZ ' ' C' ' 21' ' ' LYS . 47.7 t80 -58.61 -49.6 76.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.153 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -65.09 -48.54 73.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.97 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -63.62 -41.05 98.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.484 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 77' ' ' PHE . . . . . 0.47 ' HB2' HG12 ' C' ' 72' ' ' VAL . 19.5 t80 -60.04 -49.11 78.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.059 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.29 -46.14 91.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.999 0.428 . . . . 0.0 110.225 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 56.2 t -66.19 -40.47 87.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.397 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 80' ' ' MET . . . . . 0.531 ' SD ' HG11 ' C' ' 64' ' ' VAL . 61.9 ttp -57.26 -48.19 79.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.122 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 27.6 ttt -62.2 -44.31 96.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.867 0.365 . . . . 0.0 110.354 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 64.8 t -63.67 -43.28 98.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.618 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.701 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 101' ' ' ILE . . . . . 0.507 ' O ' HG23 ' C' ' 101' ' ' ILE . 10.5 tt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.861 0.362 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 67.9 m -65.24 149.35 50.1 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.501 0.667 . . . . 0.0 111.083 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.21 -36.04 78.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.299 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -58.56 -41.62 86.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.004 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.46 -40.46 97.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.218 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 78.7 mtp -62.85 -43.85 97.7 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.566 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 51.7 tpp -68.77 -32.59 72.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.328 0.585 . . . . 0.0 109.967 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 108' ' ' GLN . . . . . 0.632 ' O ' ' N ' ' C' ' 112' ' ' GLY . 37.9 tp60 -59.59 -50.33 74.29 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.858 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.61 -38.98 92.31 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.849 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.81 -37.43 67.54 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.709 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.18 -51.92 2.41 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.021 0.439 . . . . 0.0 111.361 -179.201 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 112' ' ' GLY . . . . . 0.632 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . . . . . . 0 CA--C 1.524 0.635 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.876 0.37 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.72 -42.19 98.62 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.949 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.445 ' O ' ' O ' ' C' ' 12' ' ' LEU . 56.4 t -64.16 -41.65 93.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.688 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -61.71 -40.25 94.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.979 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -85.11 -38.38 19.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.416 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.445 ' O ' ' O ' ' C' ' 9' ' ' VAL . 44.4 mt -114.8 142.25 46.79 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.983 0.42 . . . . 0.0 110.633 -179.351 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 63.0 p -80.12 167.03 20.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.406 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -60.05 -37.03 78.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.773 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -62.24 -42.56 99.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.54 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 16' ' ' GLN . . . . . 0.483 ' OE1' ' N ' ' C' ' 16' ' ' GLN . 0.0 OUTLIER -68.18 -39.62 82.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.669 179.669 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -59.05 -44.87 91.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.463 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -59.83 -44.86 93.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.45 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.65 -39.94 95.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.732 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -64.17 -40.4 96.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.037 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -61.01 -42.76 99.08 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.711 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.19 -39.69 86.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.768 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.16 -33.12 71.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.856 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 24' ' ' PHE . . . . . 0.771 ' O ' HG23 ' C' ' 28' ' ' VAL . 86.3 t80 -55.16 -38.46 68.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.4 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.79 -40.63 93.33 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.048 0.451 . . . . 0.0 110.822 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 26' ' ' ILE . . . . . 0.47 ' O ' HD23 ' C' ' 29' ' ' LEU . 93.4 mt -61.26 -44.72 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.251 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 27' ' ' PHE . . . . . 0.401 ' HB3' HD12 ' C' ' 36' ' ' ILE . 32.7 m-85 -68.82 -27.65 66.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.771 HG23 ' O ' ' C' ' 24' ' ' PHE . 77.9 t -70.84 -25.75 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.797 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 29' ' ' LEU . . . . . 0.676 HD12 ' C ' ' C' ' 29' ' ' LEU . 0.7 OUTLIER -61.14 143.52 55.34 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.142 0.496 . . . . 0.0 110.624 179.467 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 30' ' ' GLY . . . . . 0.483 ' N ' HD12 ' C' ' 29' ' ' LEU . . . 78.79 -0.94 75.65 Favored Glycine 0 CA--C 1.519 0.299 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.94 97.2 5.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.974 0.416 . . . . 0.0 110.561 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 32' ' ' GLU . . . . . 0.426 ' CD ' ' N ' ' C' ' 32' ' ' GLU . 1.0 OUTLIER -68.36 -25.3 65.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.587 179.546 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -65.03 -21.02 66.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.478 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.3 9.72 81.41 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 47.5 t -139.92 149.07 42.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.899 0.38 . . . . 0.0 110.331 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.577 HD13 ' N ' ' C' ' 36' ' ' ILE . 1.3 mm -63.57 113.3 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.051 -178.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 59.8 p -87.27 173.14 9.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.719 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 53.3 p -64.94 -35.28 80.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.517 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -63.69 -41.92 98.08 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.087 0.47 . . . . 0.0 110.559 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -61.49 -43.49 98.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.652 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.68 -38.67 82.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.412 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.49 -44.73 96.48 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -66.1 -40.25 90.59 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.299 0.571 . . . . 0.0 110.452 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.06 -41.77 94.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.361 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.4 mmt -60.57 -41.21 94.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.7 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -59.18 -41.42 88.44 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.328 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 25.3 mtm -62.77 -38.2 89.67 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.066 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.91 -8.49 44.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.597 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.2 5.83 72.3 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -118.35 154.01 33.07 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.942 0.401 . . . . 0.0 110.295 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 51' ' ' ASN . . . . . 0.482 ' O ' ' ND2' ' C' ' 51' ' ' ASN . 0.8 OUTLIER -140.22 72.08 32.96 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.874 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -63.51 151.14 86.42 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 123.259 2.639 . . . . 0.0 111.955 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 60.7 p -64.2 151.01 91.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.898 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 54' ' ' PRO . . . . . 0.487 ' HA ' HD21 ' C' ' 57' ' ' LEU . 58.7 Cg_exo -49.52 -36.57 40.22 Favored 'Trans proline' 0 N--CA 1.5 1.895 0 C-N-CA 122.387 2.058 . . . . 0.0 112.3 179.032 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -69.85 -38.39 76.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.073 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -61.04 -50.73 72.13 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 57' ' ' LEU . . . . . 0.487 HD21 ' HA ' ' C' ' 54' ' ' PRO . 2.8 pp -71.68 -40.07 69.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.08 0.467 . . . . 0.0 110.657 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 58' ' ' GLN . . . . . 0.487 ' N ' HD12 ' C' ' 57' ' ' LEU . 53.0 tt0 -61.35 -43.4 98.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.269 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -64.01 -41.53 97.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.541 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 60' ' ' MET . . . . . 0.531 ' O ' HG22 ' C' ' 64' ' ' VAL . 2.4 ttt -59.63 -45.46 91.9 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.487 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.22 -40.59 89.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.268 0.556 . . . . 0.0 110.458 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -64.94 -42.36 94.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.911 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.86 -46.67 83.96 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.945 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 64' ' ' VAL . . . . . 0.531 HG22 ' O ' ' C' ' 60' ' ' MET . 33.9 m -74.3 -20.47 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.744 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.505 ' OD2' ' N ' ' C' ' 70' ' ' GLY . 6.2 t0 -43.37 124.76 3.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.887 0.375 . . . . 0.0 110.247 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -84.78 -51.4 6.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.163 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 59.6 p30 -94.59 -0.76 54.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.905 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.24 16.92 69.61 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 97.4 p -70.18 -16.87 63.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.849 0.357 . . . . 0.0 110.86 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 70' ' ' GLY . . . . . 0.505 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 92.98 -4.51 74.99 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 68.8 p -132.66 166.26 22.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.735 0.302 . . . . 0.0 110.593 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 12.7 m -113.8 115.92 51.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.328 0.585 . . . . 0.0 110.844 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -74.59 -173.55 1.82 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.415 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -58.99 -46.26 88.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.435 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -65.65 -41.05 93.02 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.489 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.41 -39.42 94.44 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.418 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -60.64 -48.83 80.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.92 0.39 . . . . 0.0 111.153 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 4.4 tp -59.41 -62.06 2.16 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.296 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 15.0 p -53.74 -34.02 24.04 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.392 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 49.6 mmm -63.01 -40.7 98.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.625 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -56.34 17.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.105 0.478 . . . . 0.0 111.317 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 28.1 m -61.64 -29.69 46.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.153 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 80.1 ttt-85 . . . . . 0 C--N 1.33 -0.258 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.272 179.858 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 27.5 mm . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.902 0.382 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 37.1 t -71.13 143.93 50.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.803 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.6 -38.47 91.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.748 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -57.63 -45.2 85.72 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.938 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.22 -40.24 95.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.832 0.349 . . . . 0.0 110.351 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 52.1 ttm -60.14 -46.18 90.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.015 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 11.0 ttm -60.09 -45.47 92.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -61.62 -45.01 95.88 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.695 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.55 -40.19 95.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.966 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.91 -48.88 79.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.664 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 2.0 tt -78.33 -32.83 49.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.821 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.523 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -178.849 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.883 0.373 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.66 -49.94 74.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.156 -178.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.24 -34.21 68.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -61.74 -39.57 92.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.478 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -86.5 -40.28 15.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.673 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt -80.03 150.29 30.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.635 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 68.7 p -102.46 170.41 8.07 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.601 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.47 -36.43 75.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.285 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -59.89 -40.13 87.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.58 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -62.95 -42.57 99.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.513 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 5.4 tptm -62.88 -42.43 99.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.485 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -60.03 -39.67 86.7 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.242 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 19' ' ' GLU . . . . . 0.544 ' OE1' ' N ' ' C' ' 19' ' ' GLU . 0.0 OUTLIER -59.66 -48.07 83.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.668 179.857 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -71.08 -27.05 63.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.578 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -60.07 -42.07 93.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.337 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.87 -43.2 94.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.613 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.15 -38.76 91.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.733 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -57.4 -39.65 76.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.541 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -60.66 -38.93 86.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.161 0.505 . . . . 0.0 110.396 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -72.28 -39.43 63.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.242 0.544 . . . . 0.0 110.81 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 27' ' ' PHE . . . . . 0.498 ' C ' ' H ' ' C' ' 29' ' ' LEU . 2.4 m-85 -56.5 -41.71 77.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.993 -178.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.416 HG11 ' O ' ' C' ' 34' ' ' GLY . 27.3 m -73.4 28.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 29' ' ' LEU . . . . . 0.649 HD12 ' O ' ' C' ' 29' ' ' LEU . 3.4 pp -51.76 128.78 24.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.394 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.38 -6.06 58.4 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -108.7 99.56 8.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.811 0.338 . . . . 0.0 110.54 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -70.91 -27.38 63.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.395 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -65.45 -26.83 68.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.522 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 34' ' ' GLY . . . . . 0.416 ' O ' HG11 ' C' ' 28' ' ' VAL . . . 95.15 6.32 60.23 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 56.0 m -96.76 148.97 22.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 110.499 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 89.8 mt -103.74 119.72 52.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 37' ' ' SER . . . . . 0.423 ' OG ' ' OE1' ' C' ' 40' ' ' GLU . 83.1 p -83.3 167.28 17.76 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.547 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 81.1 p -64.04 -30.62 71.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.293 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.19 -42.27 99.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.442 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 40' ' ' GLU . . . . . 0.423 ' OE1' ' OG ' ' C' ' 37' ' ' SER . 2.4 mp0 -63.8 -46.82 83.42 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.733 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.2 -38.67 92.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.833 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.26 -40.72 97.75 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.85 -41.05 97.88 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.73 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 80.5 t -62.63 -48.64 87.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.077 0.465 . . . . 0.0 110.455 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 45' ' ' MET . . . . . 0.565 ' CE ' HD21 ' C' ' 57' ' ' LEU . 66.1 mtm -64.23 -40.12 95.39 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.057 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 11.8 mtm180 -53.67 -45.07 70.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.491 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 78.5 mtm -66.21 -32.72 74.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.348 178.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 8.0 tp -57.28 -21.98 38.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.392 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.89 9.99 41.35 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -107.15 173.7 6.21 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.268 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -113.76 96.65 41.73 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -78.03 154.46 29.39 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 C-N-CA 122.856 2.371 . . . . 0.0 112.077 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.22 124.9 21.59 Favored Pre-proline 0 N--CA 1.448 -0.564 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.305 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -49.95 -35.45 40.77 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.637 2.224 . . . . 0.0 111.895 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -67.66 -47.21 70.19 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.848 0.356 . . . . 0.0 110.644 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -68.66 -39.3 80.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.603 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 57' ' ' LEU . . . . . 0.565 HD21 ' CE ' ' C' ' 45' ' ' MET . 5.7 mt -59.58 -48.34 82.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? -63.74 -42.11 97.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.691 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -65.16 -44.19 89.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.412 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 16.6 tpt -63.73 -44.79 92.51 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.5 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 82.3 mt -62.94 -39.05 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.442 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -57.37 -44.47 84.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.407 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.18 -41.36 97.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.575 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 69.9 t -71.25 -38.81 71.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.348 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.429 ' OD2' ' N ' ' C' ' 70' ' ' GLY . 0.1 OUTLIER -38.71 105.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.101 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -89.0 -42.46 11.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.523 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.1 p30 -93.63 -1.06 55.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.831 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.73 19.55 69.43 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 96.6 p -67.03 -20.87 65.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.348 . . . . 0.0 110.626 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 70' ' ' GLY . . . . . 0.429 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 92.24 -5.59 78.18 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 71' ' ' THR . . . . . 0.427 ' O ' ' OE1' ' C' ' 76' ' ' GLU . 80.7 p -131.61 165.54 23.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.751 0.31 . . . . 0.0 110.723 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 3.5 m -87.62 104.05 14.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.644 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.44 -173.52 3.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.525 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -59.82 -46.91 87.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.803 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 75' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 30.3 p-10 -69.89 -44.95 68.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.721 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.45 ' N ' ' OD1' ' C' ' 75' ' ' ASP . 98.6 mt-10 -63.02 -38.88 92.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.597 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -60.04 -45.55 92.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 78' ' ' LEU . . . . . 0.837 ' O ' HG23 ' C' ' 82' ' ' VAL . 6.7 tp -58.62 -43.15 89.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.555 -179.065 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.21 -42.46 90.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.746 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 24.4 tpp -58.32 -42.98 87.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.193 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 9.9 ttt -77.5 -28.77 52.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.828 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 82' ' ' VAL . . . . . 0.837 HG23 ' O ' ' C' ' 78' ' ' LEU . 51.6 t -60.12 -47.29 92.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.177 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 83' ' ' ARG . . . . . 0.416 ' HG2' ' H ' ' C' ' 83' ' ' ARG . 5.1 ptm85 . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.03 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 77.3 mt . . . . . 0 CA--C 1.527 0.075 0 CA-C-O 120.719 0.295 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 85.5 p -83.39 169.56 15.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.657 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.22 98.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.474 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -64.91 -42.18 94.95 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.512 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.29 -39.34 90.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.532 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 106' ' ' MET . . . . . 0.401 ' SD ' ' C ' ' C' ' 106' ' ' MET . 15.3 tmm? -60.97 -46.0 92.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.672 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 98.1 mtp -62.81 -41.51 99.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.761 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -63.06 -45.4 92.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.623 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.84 -40.01 91.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.746 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 6.7 tp -61.03 -44.83 96.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.461 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 12.2 tp -64.71 -41.54 95.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.341 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.539 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 -179.946 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.787 0.327 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.5 -52.0 67.49 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.289 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.72 -33.43 63.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.166 0.508 . . . . 0.0 110.326 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.16 -32.09 67.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -82.1 6.42 16.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.059 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.699 ' C ' HD12 ' C' ' 12' ' ' LEU . 4.3 pp -50.49 169.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.442 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 75.7 p -119.2 156.13 30.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.31 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.05 -39.54 92.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.488 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -61.3 -43.83 98.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.164 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -64.62 -41.02 96.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.598 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -61.11 -44.32 97.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.828 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -60.28 -44.12 95.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.63 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.52 -43.92 95.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.422 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -65.63 -37.0 85.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.556 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -60.33 -45.2 94.28 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.697 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.1 -45.66 87.65 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.41 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 23' ' ' ALA . . . . . 0.485 ' O ' HG13 ' C' ' 26' ' ' ILE . . . -65.29 -35.85 82.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.487 0.661 . . . . 0.0 110.036 179.182 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 24' ' ' PHE . . . . . 0.692 ' O ' HG23 ' C' ' 28' ' ' VAL . 60.0 t80 -70.02 -38.86 76.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.775 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -60.0 -51.2 70.66 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.973 0.416 . . . . 0.0 111.482 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 26' ' ' ILE . . . . . 0.485 HG13 ' O ' ' C' ' 23' ' ' ALA . 1.2 pt -64.82 -33.37 62.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.172 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -30.26 65.41 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 120.771 0.319 . . . . 0.0 110.73 179.136 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.692 HG23 ' O ' ' C' ' 24' ' ' PHE . 53.5 t -74.43 -25.82 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt -50.95 130.34 25.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.698 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.55 -10.59 64.87 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.01 135.94 33.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 110.66 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -80.21 -37.8 32.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -88.75 -7.42 56.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.83 4.57 90.28 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 41.5 m -112.28 155.85 23.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.821 0.344 . . . . 0.0 110.483 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 83.3 mt -62.5 123.07 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.349 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 25.4 m -124.68 179.52 4.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.692 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.7 p -64.89 -28.5 69.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.642 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -61.18 -50.58 72.56 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -66.9 -40.19 87.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.583 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 41' ' ' LEU . . . . . 0.567 HD22 ' CE ' ' C' ' 45' ' ' MET . 2.9 mt -63.71 -42.01 98.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.201 0.524 . . . . 0.0 110.641 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.93 -41.61 99.67 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -59.18 -50.69 73.06 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.568 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 6.3 p -67.27 -37.26 78.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.822 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 45' ' ' MET . . . . . 0.567 ' CE ' HD22 ' C' ' 41' ' ' LEU . 49.5 mtt -61.03 -47.29 87.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.94 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 35.1 mtm180 -65.25 -38.49 90.51 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.747 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 47' ' ' MET . . . . . 0.522 ' C ' ' H ' ' C' ' 49' ' ' GLY . 62.4 ttp -58.56 -37.9 76.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.51 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 22.9 mt -67.11 13.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 49' ' ' GLY . . . . . 0.522 ' H ' ' C ' ' C' ' 47' ' ' MET . . . 74.84 42.2 31.6 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -126.14 164.08 21.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.95 0.405 . . . . 0.0 110.523 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -141.23 61.74 14.62 Favored Pre-proline 0 C--N 1.326 -0.421 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.712 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.05 152.51 28.03 Favored 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.795 2.33 . . . . 0.0 112.311 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.77 155.62 75.54 Favored Pre-proline 0 C--N 1.324 -0.503 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -50.26 -43.45 43.35 Favored 'Trans proline' 0 N--CA 1.498 1.767 0 C-N-CA 122.14 1.893 . . . . 0.0 112.181 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -72.63 -33.94 66.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.076 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -58.85 -55.06 40.02 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.426 -178.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.56 -35.93 79.97 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.201 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -58.65 -40.3 83.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.995 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -70.97 -38.08 72.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.435 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 96.5 mtp -60.68 -46.05 91.83 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 61' ' ' ILE . . . . . 0.559 HD12 HD12 ' C' ' 41' ' ' LEU . 13.7 tt -68.12 -34.0 64.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.253 179.26 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -60.78 -47.85 84.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.621 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.14 -42.76 83.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.637 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 64' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' C' ' 65' ' ' ASP . 55.1 t -62.85 -38.74 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.551 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' C' ' 68' ' ' GLY . 11.0 t0 -34.92 146.04 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 O-C-N 123.595 0.559 . . . . 0.0 110.646 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 66' ' ' GLU . . . . . 0.647 ' OE2' HG11 ' C' ' 79' ' ' VAL . 17.5 tt0 -82.02 -51.22 8.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.488 -178.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 56.2 p30 -102.89 4.75 37.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.087 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 68' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' C' ' 65' ' ' ASP . . . 71.82 19.27 78.04 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 99.4 p -69.07 -16.43 63.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.714 0.293 . . . . 0.0 110.652 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 70' ' ' GLY . . . . . 0.425 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 83.42 1.32 90.27 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 11.6 m -139.37 140.4 37.45 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 96.3 t -104.6 123.31 58.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.532 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 73' ' ' ASP . . . . . 0.426 ' H ' ' HB3' ' C' ' 76' ' ' GLU . 87.5 m-20 -97.34 175.98 6.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.769 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -58.36 -49.93 75.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.605 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 75' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 36.5 p-10 -64.86 -42.46 94.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.584 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.494 ' N ' ' OD1' ' C' ' 75' ' ' ASP . 87.4 tt0 -64.87 -36.42 84.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.495 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -58.88 -47.78 83.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.379 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 6.9 mp -60.48 -47.26 86.92 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.741 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 79' ' ' VAL . . . . . 0.647 HG11 ' OE2' ' C' ' 66' ' ' GLU . 53.5 t -62.76 -44.67 99.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.088 0.47 . . . . 0.0 110.249 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 80' ' ' MET . . . . . 0.415 ' C ' ' SD ' ' C' ' 80' ' ' MET . 18.5 tmm? -60.77 -42.87 98.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.642 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -60.99 2.59 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.692 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 27.0 m -60.58 -28.13 41.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.027 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 18.3 ttp180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.453 -179.728 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 30.0 pt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.837 0.351 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 75.7 m -92.66 160.08 15.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.573 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.66 90.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.66 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 104' ' ' ASP . . . . . 0.409 ' O ' ' HG3' ' C' ' 107' ' ' MET . 4.7 p-10 -62.91 -39.2 93.81 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 121.197 0.523 . . . . 0.0 110.31 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.54 -38.76 74.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.099 0.476 . . . . 0.0 110.839 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 28.6 ttt -60.99 -48.92 79.58 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.836 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 107' ' ' MET . . . . . 0.461 ' C ' ' SD ' ' C' ' 107' ' ' MET . 1.3 ppp? -66.55 -38.09 86.37 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.44 -179.196 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -64.63 -42.05 95.74 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.855 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.31 -42.43 99.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.754 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.8 -38.63 91.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.622 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 111' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' C' ' 111' ' ' LEU . 4.1 mm? -88.55 -0.81 57.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.101 0.476 . . . . 0.0 110.657 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.505 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.611 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 6.7 m80 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -104.18 -36.72 7.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.749 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 46.8 m170 57.31 -148.99 0.47 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.33 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' -10' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' C' ' -8' ' ' HIS . 58.7 t60 -149.19 125.06 10.56 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -97.91 -63.87 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.225 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' -8' ' ' HIS . . . . . 0.562 ' O ' ' CD2' ' C' ' -10' ' ' HIS . 22.6 m-70 -60.55 152.85 24.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -85.74 4.25 86.06 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . 69.43 16.92 72.02 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 3.7 tp 48.88 30.79 2.86 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.388 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' -4' ' ' VAL . . . . . 0.734 ' O ' HG13 ' C' ' -4' ' ' VAL . 11.0 p -133.12 74.64 72.9 Favored Pre-proline 0 C--O 1.232 0.142 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.649 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.55 150.99 65.48 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.977 2.452 . . . . 0.0 111.767 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 58.81 179.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.521 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . 85.47 -4.21 86.02 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 0' ' ' SER . . . . . 0.546 ' C ' ' H ' ' C' ' 2' ' ' ASP . 49.1 m -149.13 -120.39 0.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.785 0.326 . . . . 0.0 110.538 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 67.64 -12.49 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.628 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ASP . . . . . 0.546 ' H ' ' C ' ' C' ' 0' ' ' SER . 98.5 m-20 -60.5 -37.87 82.49 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.368 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' C' ' 3' ' ' ASP . 23.4 p-10 -58.64 -41.79 86.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.659 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 87.5 mt -61.93 -45.71 98.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 110.385 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -65.54 -39.58 91.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.523 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -62.5 -42.89 99.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.58 99.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.888 0.375 . . . . 0.0 110.511 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' C' ' 12' ' ' LEU . . . -62.51 -41.53 98.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.422 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.462 ' O ' ' O ' ' C' ' 12' ' ' LEU . 53.0 t -63.21 -42.84 97.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.989 0.423 . . . . 0.0 110.717 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -63.81 -39.04 93.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.06 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -86.65 -31.02 21.31 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.264 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' C' ' 8' ' ' ALA . 39.6 mt -112.82 134.7 54.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.994 0.426 . . . . 0.0 110.578 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 69.2 p -85.82 171.75 11.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.49 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -60.22 -44.61 95.04 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.474 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.63 -40.62 92.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.146 0.498 . . . . 0.0 110.139 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -65.3 -38.86 91.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.225 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -59.41 -42.75 92.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.997 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -62.02 -40.44 95.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.007 0.432 . . . . 0.0 110.05 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -63.22 -40.13 96.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.946 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -57.29 -46.23 83.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.459 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.19 -39.98 88.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.511 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.19 -43.31 99.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 110.331 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.6 -40.61 97.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.519 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' PHE . . . . . 0.806 ' O ' HG23 ' C' ' 28' ' ' VAL . 81.3 t80 -60.41 -44.04 96.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.434 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -59.74 -41.91 92.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.533 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.58 -44.14 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.054 0.455 . . . . 0.0 110.329 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' PHE . . . . . 0.447 ' O ' ' OE1' ' C' ' 40' ' ' GLU . 8.1 m-85 -66.98 -30.98 71.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.387 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.806 HG23 ' O ' ' C' ' 24' ' ' PHE . 95.1 t -71.69 -25.33 24.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.35 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 mt -67.51 126.91 30.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.519 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.21 -1.82 86.5 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.33 123.86 18.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 110.366 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -66.13 -43.18 87.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 54.4 p-10 -107.72 12.38 27.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.71 -4.96 85.82 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 56.8 m -128.79 151.03 50.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.848 0.356 . . . . 0.0 110.602 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 11.1 tt -42.05 138.65 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.448 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 15.9 t -141.0 -166.75 2.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.478 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.0 p -67.16 -38.32 85.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.403 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -66.73 -42.05 86.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.723 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' C' ' 27' ' ' PHE . 9.6 tp10 -65.11 -49.69 69.0 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.285 0.564 . . . . 0.0 110.823 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 41' ' ' LEU . . . . . 0.402 ' O ' HG12 ' C' ' 44' ' ' VAL . 27.2 tp -67.21 -39.28 86.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.699 0.761 . . . . 0.0 109.411 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.87 -33.89 88.44 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -59.92 -48.91 79.77 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.151 0.501 . . . . 0.0 110.677 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' VAL . . . . . 0.402 HG12 ' O ' ' C' ' 41' ' ' LEU . 3.4 p -66.14 -33.09 61.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.481 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.0 mmt -63.34 -41.38 98.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.648 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 mtp-105 -62.49 -40.92 98.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.083 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 27.0 ttp -61.56 -41.25 97.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.675 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 90.8 mt -67.35 -12.36 59.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.426 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.9 7.43 57.56 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -98.94 148.95 23.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.65 0.262 . . . . 0.0 110.363 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -132.34 70.93 79.83 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.181 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -72.77 147.34 44.49 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.711 2.274 . . . . 0.0 112.527 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 74.2 p -72.66 152.6 91.52 Favored Pre-proline 0 N--CA 1.45 -0.466 0 C-N-CA 120.117 -0.633 . . . . 0.0 111.006 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.61 -37.16 63.02 Favored 'Trans proline' 0 N--CA 1.498 1.738 0 C-N-CA 122.171 1.914 . . . . 0.0 112.052 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -64.2 -39.94 95.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.822 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.46 -40.88 98.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.342 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 98.3 mt -67.65 -40.16 84.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.683 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -63.74 -42.62 97.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.618 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.45 -39.97 92.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 15.1 mmt -61.03 -43.76 98.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 61' ' ' ILE . . . . . 0.593 HG22 ' OD2' ' C' ' 65' ' ' ASP . 96.6 mt -65.27 -45.23 94.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.295 0.569 . . . . 0.0 110.298 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -62.72 -40.35 96.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -66.05 -43.34 87.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.48 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -81.11 -20.79 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.83 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.593 ' OD2' HG22 ' C' ' 61' ' ' ILE . 13.6 m-20 -57.2 140.62 49.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.061 0.458 . . . . 0.0 110.544 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -70.41 -44.72 67.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.58 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 48.3 p-10 -111.85 3.83 17.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.13 24.3 76.66 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 93.2 p -62.45 -22.69 66.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.726 0.298 . . . . 0.0 110.761 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.78 -12.45 65.92 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 62.7 m -134.34 137.56 44.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.757 0.313 . . . . 0.0 110.238 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 42.2 t -98.3 118.54 45.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 73' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' C' ' 75' ' ' ASP . 2.6 p30 -87.01 -176.46 5.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.628 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -58.6 -49.28 78.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 75' ' ' ASP . . . . . 0.537 ' N ' ' OD1' ' C' ' 73' ' ' ASP . 35.3 t70 -61.03 -48.81 80.06 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.055 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.47 -39.82 94.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.621 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -64.85 -40.74 95.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.774 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 78' ' ' LEU . . . . . 0.576 ' O ' HD23 ' C' ' 78' ' ' LEU . 2.6 tt -60.76 -52.21 66.08 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.978 0.418 . . . . 0.0 111.1 -179.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 35.3 m -67.52 -31.63 53.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.664 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 65.6 ttp -61.32 -44.12 97.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.412 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 5.6 tpt -64.71 -42.9 94.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.961 0.41 . . . . 0.0 110.144 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.47 -42.52 96.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.465 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 83' ' ' ARG . . . . . 0.46 ' HE ' ' HE2' ' C' ' 86' ' ' LYS . 2.1 mtp180 -61.22 -41.86 97.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.724 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 84' ' ' 4J4 . . . . . 0.419 ' CAR' ' CAN' ' C' ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 16.7 mmt -66.07 -52.81 45.42 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.245 0.545 . . . . 0.0 111.785 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 86' ' ' LYS . . . . . 0.46 ' HE2' ' HE ' ' C' ' 83' ' ' ARG . 33.7 pttt -73.09 -31.91 64.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.994 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -60.41 -46.4 90.16 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.299 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -64.23 -40.92 97.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.361 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 46.8 t -62.13 -44.51 96.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.557 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -62.38 -45.02 95.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.605 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 91' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -90.82 89.65 7.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.499 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.66 -46.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.736 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 44.4 -102.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.619 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -158.23 157.77 33.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 46.38 89.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.59 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -76.47 174.89 53.48 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 97' ' ' ARG . . . . . 0.663 ' O ' HG23 ' C' ' 99' ' ' VAL . 73.7 mtp180 -127.61 153.3 46.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.782 0.325 . . . . 0.0 110.445 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -57.78 98.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.202 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 99' ' ' VAL . . . . . 0.663 HG23 ' O ' ' C' ' 97' ' ' ARG . 64.2 t -105.65 101.28 12.17 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.162 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 100' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' C' ' 99' ' ' VAL . 89.9 mtm180 34.31 -92.87 0.01 OUTLIER 'General case' 0 C--O 1.232 0.154 0 O-C-N 123.694 0.621 . . . . 0.0 110.502 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 101' ' ' ILE . . . . . 0.617 ' O ' HD12 ' C' ' 101' ' ' ILE . 1.0 OUTLIER -138.82 151.61 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.65 179.822 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 56.9 m -85.31 148.61 25.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.625 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.44 94.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.418 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -62.89 -42.6 99.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.438 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.67 -44.06 96.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.627 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 65.9 ttp -63.42 -42.96 98.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.546 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 1.6 ttp -60.63 -44.32 96.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.372 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -63.67 -40.07 95.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.437 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.66 -40.8 96.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.66 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.43 -40.49 97.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.476 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 2.5 mp -72.22 -31.45 65.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.718 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . 62.79 -132.23 43.64 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.47 140.41 42.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.805 0.336 . . . . 0.0 110.794 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -64.8 138.54 58.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.144 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -147.68 127.89 13.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.739 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -129.4 13.43 6.05 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.941 0.4 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 117' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' C' ' 120' ' ' ASP . 39.9 mt-10 -62.13 -11.79 16.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.315 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 47.8 t -59.82 -43.17 94.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.323 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 2.0 tt -65.48 -43.14 91.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.813 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 120' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' C' ' 117' ' ' GLU . 0.2 OUTLIER -107.17 113.37 26.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.611 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 2.0 mp -104.66 -50.97 3.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.068 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 122' ' ' ARG . . . . . 0.704 ' H ' HH11 ' C' ' 122' ' ' ARG . 0.0 OUTLIER -62.54 -40.61 97.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.745 -179.512 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -104.55 133.07 50.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.112 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 124' ' ' HIS . . . . . 0.485 ' O ' ' ND1' ' C' ' 124' ' ' HIS . 30.9 p80 -111.33 118.48 35.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 58.2 tp -130.94 115.51 16.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.253 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.464 179.666 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' -13' ' ' HIS . . . . . 0.482 ' HA ' ' H ' ' C' ' -6' ' ' GLY . 69.2 m80 . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.43 20.54 11.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.614 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -93.86 128.11 39.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.739 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -64.0 -12.54 39.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.552 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -82.56 70.3 9.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.52 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' -8' ' ' HIS . . . . . 0.437 ' CG ' ' O ' ' C' ' -8' ' ' HIS . 18.8 t-80 57.5 42.55 24.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.771 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -75.7 -174.13 35.61 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' -6' ' ' GLY . . . . . 0.482 ' H ' ' HA ' ' C' ' -13' ' ' HIS . . . -59.31 -39.56 94.84 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' -5' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' C' ' -5' ' ' LEU . 3.8 mm? -73.54 149.71 42.01 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.732 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' -4' ' ' VAL . . . . . 0.501 ' C ' ' H ' ' C' ' -2' ' ' ARG . 28.4 t -134.52 79.79 52.99 Favored Pre-proline 0 C--O 1.233 0.203 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.556 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -65.12 34.33 0.11 Allowed 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.888 2.392 . . . . 0.0 112.26 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' -2' ' ' ARG . . . . . 0.501 ' H ' ' C ' ' C' ' -4' ' ' VAL . 19.3 mmt85 50.92 -130.62 2.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.556 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . -81.7 62.4 4.52 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.14 177.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.666 0.27 . . . . 0.0 110.527 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.521 ' SD ' ' CG ' ' C' ' 66' ' ' GLU . 17.8 mtp -105.7 -6.08 19.44 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.235 0.541 . . . . 0.0 110.775 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -58.12 -36.8 73.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.321 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -59.45 -39.47 83.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.485 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' ILE . . . . . 0.416 HG21 HG13 ' C' ' 79' ' ' VAL . 94.8 mt -61.2 -46.64 96.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.078 0.466 . . . . 0.0 110.169 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -61.12 -47.51 85.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.816 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 11.8 mmtm -61.32 -39.87 92.09 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.49 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.72 92.22 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.574 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.33 -48.18 82.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.944 0.402 . . . . 0.0 111.485 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.24 -36.04 73.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.571 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -69.61 -44.77 70.02 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.811 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -71.05 -40.34 71.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.639 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 86.7 mt -86.19 144.64 27.36 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.429 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 48.2 p -103.17 -179.75 4.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.616 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -58.0 -42.14 84.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.323 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.97 -46.67 89.8 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.386 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -63.82 -39.17 93.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.052 0.453 . . . . 0.0 110.382 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -60.96 -40.41 93.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.51 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -61.12 -43.09 99.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.18 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.36 -39.37 94.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.54 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -63.14 -44.41 95.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.717 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.89 -41.1 97.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.975 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.59 -46.5 89.61 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.573 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.66 -40.76 95.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.452 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' PHE . . . . . 0.544 ' O ' HG22 ' C' ' 28' ' ' VAL . 42.5 t80 -64.7 -38.92 92.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.346 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -59.54 -43.79 93.39 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.342 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 98.3 mt -70.5 -41.18 78.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.124 0.488 . . . . 0.0 110.333 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -41.22 89.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.822 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.544 HG22 ' O ' ' C' ' 24' ' ' PHE . 10.3 m -90.96 24.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 63.3 tp -62.52 125.61 24.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.263 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.02 -10.93 73.4 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -112.29 91.78 3.78 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.974 0.416 . . . . 0.0 110.274 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -62.51 -19.87 64.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.344 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -63.76 -24.48 67.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.556 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.58 14.11 82.33 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 68.5 m -115.57 146.54 41.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.683 0.278 . . . . 0.0 110.536 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.416 ' CD1' HG12 ' C' ' 28' ' ' VAL . 12.5 mm -83.14 122.57 37.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.084 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 22.6 t -121.12 -164.62 1.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.416 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 66.7 p -66.36 -36.97 84.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.314 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.32 -43.17 95.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.86 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.06 -48.02 77.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.019 0.438 . . . . 0.0 110.785 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.59 -37.26 73.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.548 0.69 . . . . 0.0 110.575 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.04 -32.57 71.31 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -58.77 -44.5 90.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.846 0.355 . . . . 0.0 110.296 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 52.9 t -62.66 -41.49 92.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.025 0.441 . . . . 0.0 109.997 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.3 mmt -59.7 -42.45 93.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.244 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -64.12 -37.01 85.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.363 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 53.6 ttm -56.52 -43.65 80.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.746 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.52 -7.83 55.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.494 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.66 13.37 59.68 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -103.71 136.31 43.65 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -128.58 81.39 70.76 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-O 120.935 0.398 . . . . 0.0 110.287 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 52' ' ' PRO . . . . . 0.582 ' HG2' HD21 ' C' ' 57' ' ' LEU . 56.6 Cg_endo -76.13 161.69 35.12 Favored 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.869 2.379 . . . . 0.0 112.639 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 29.8 p -67.35 150.68 97.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.656 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -63.58 -29.04 70.05 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 122.485 2.123 . . . . 0.0 112.158 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -65.05 -41.87 94.76 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 121.562 0.696 . . . . 0.0 110.645 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -70.9 -35.7 72.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.595 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 57' ' ' LEU . . . . . 0.582 HD21 ' HG2' ' C' ' 52' ' ' PRO . 86.9 mt -60.84 -45.16 95.61 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.298 -178.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -68.82 -33.52 73.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.606 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -62.99 -41.47 99.58 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.808 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 67.7 mtt -64.14 -40.98 97.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 38.2 mm -63.63 -43.41 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.698 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -58.77 -47.26 85.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.389 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -63.89 -43.55 95.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.004 0.431 . . . . 0.0 110.931 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 64' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' C' ' 65' ' ' ASP . 58.2 t -66.54 -39.17 83.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.961 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 50.2 t0 -35.27 142.77 0.05 Allowed 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.747 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 66' ' ' GLU . . . . . 0.581 ' OE2' HG11 ' C' ' 79' ' ' VAL . 42.5 tt0 -84.74 -50.58 7.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.303 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -103.17 2.59 34.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.016 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.01 23.84 74.46 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 69' ' ' SER . . . . . 0.461 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 95.4 p -63.81 -19.45 65.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 0.0 110.777 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.0 -11.17 71.21 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 92.4 m -139.06 141.75 38.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.657 0.265 . . . . 0.0 110.764 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 92.8 t -101.24 122.6 53.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.495 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -101.8 -177.93 3.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.643 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -59.49 -47.06 86.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.737 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -59.32 -49.55 77.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.9 -38.08 89.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.665 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -59.16 -48.07 82.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.824 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.69 -45.08 93.18 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.374 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 79' ' ' VAL . . . . . 0.581 HG11 ' OE2' ' C' ' 66' ' ' GLU . 53.3 t -62.84 -46.18 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.88 0.371 . . . . 0.0 110.861 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 40.8 mtp -62.6 -40.77 97.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 9.2 tpt -61.94 -44.41 96.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.417 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.92 -45.56 94.41 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.149 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.161 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -59.33 -41.15 88.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.146 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 78.3 mtm -62.92 -40.2 96.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -61.37 -46.33 90.63 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.147 0.499 . . . . 0.0 110.284 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -64.71 -42.21 95.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.491 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -60.97 -37.98 84.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.379 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 60.9 m -59.38 -45.62 90.96 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.507 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.91 -40.74 95.54 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.638 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 91' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 40.92 29.79 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.369 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 95.6 mt 46.17 65.09 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.7 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 48.0 t80 67.06 -73.79 0.07 Allowed 'General case' 0 N--CA 1.463 0.214 0 O-C-N 123.47 0.481 . . . . 0.0 110.657 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -150.18 81.51 1.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.349 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -118.14 125.08 49.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.673 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.6 6.32 44.88 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.43 151.59 47.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.908 0.385 . . . . 0.0 110.908 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 50.1 -124.89 2.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.687 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 33.1 m -51.42 134.91 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.328 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -133.36 0.65 3.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.816 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 91.4 mt -114.39 125.92 71.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.437 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 68.3 m -70.69 153.32 42.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.57 91.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.824 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -58.2 -45.51 87.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.57 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.18 -41.24 97.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 110.39 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 48.0 tpp -67.06 -40.25 87.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.501 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 61.7 ttp -60.29 -46.87 88.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.708 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -61.33 -45.57 93.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.487 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 109' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' C' ' 112' ' ' GLY . . . -63.87 -39.35 93.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.533 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 25.2 tp -68.09 -41.62 81.59 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.548 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.99 -50.22 17.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.489 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 112' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' C' ' 109' ' ' ALA . . . -114.73 178.69 18.12 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 113' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' C' ' 112' ' ' GLY . . . 66.0 138.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.912 0.387 . . . . 0.0 110.505 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 59.56 3.9 0.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.624 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 115' ' ' ALA . . . . . 0.453 ' H ' ' C ' ' C' ' 113' ' ' ALA . . . -73.48 149.46 42.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.729 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -69.27 124.33 23.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.753 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -78.04 -23.72 48.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.753 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 74.6 m -62.38 -41.28 98.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.541 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 119' ' ' LEU . . . . . 0.41 ' O ' ' OD2' ' C' ' 120' ' ' ASP . 0.5 OUTLIER -96.82 -55.32 2.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 120' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' C' ' 121' ' ' LEU . 0.0 OUTLIER 55.07 173.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.57 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 121' ' ' LEU . . . . . 0.44 ' N ' ' OD1' ' C' ' 120' ' ' ASP . 77.9 mt -83.32 69.2 9.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.366 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 49.31 63.86 1.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.63 0.728 . . . . 0.0 110.642 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 123' ' ' ALA . . . . . 0.431 ' HB2' ' CG ' ' C' ' 120' ' ' ASP . . . -63.72 148.41 49.17 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.585 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 124' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' C' ' 123' ' ' ALA . 19.4 t-80 58.74 116.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.605 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 23.6 mt -70.47 138.47 51.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.297 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 64.2 mttp . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.902 -1.047 . . . . 0.0 110.488 179.93 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 20.4 m80 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -118.41 117.22 28.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.3 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' -11' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' C' ' -9' ' ' HIS . 20.0 m80 42.19 -144.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.521 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' -10' ' ' HIS . . . . . 0.462 ' CG ' ' N ' ' C' ' -9' ' ' HIS . 12.5 t-160 40.07 -98.51 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.548 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' -9' ' ' HIS . . . . . 0.462 ' N ' ' CG ' ' C' ' -10' ' ' HIS . 0.2 OUTLIER -97.92 97.06 8.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.441 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -73.26 164.4 26.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.385 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -159.24 179.05 35.13 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . 113.27 95.52 2.17 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 10.3 mt -107.14 17.93 22.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.519 0.2 . . . . 0.0 110.705 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 14.5 t -129.1 81.63 70.26 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.317 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.62 146.37 91.83 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.96 2.44 . . . . 0.0 111.734 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.32 174.8 6.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.581 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . 103.96 161.85 24.75 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 3.1 m -130.23 -84.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.686 0.279 . . . . 0.0 110.417 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.57 ' O ' HG22 ' C' ' 4' ' ' ILE . 17.3 mmm -62.59 -23.02 66.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.599 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -61.68 -28.14 69.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.805 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -59.6 -30.07 68.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.439 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' ILE . . . . . 0.57 HG22 ' O ' ' C' ' 1' ' ' MET . 0.6 OUTLIER -48.26 -31.51 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.728 -179.407 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -59.9 -47.73 84.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.853 0.359 . . . . 0.0 110.252 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -63.63 -42.19 98.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.271 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.45 93.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.09 -46.91 88.01 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.299 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.49 ' O ' ' O ' ' C' ' 12' ' ' LEU . 21.4 m -75.18 -32.54 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.189 0.519 . . . . 0.0 110.42 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -60.19 -39.45 86.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.284 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -88.22 -33.48 18.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.279 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.49 ' O ' ' O ' ' C' ' 9' ' ' VAL . 68.8 mt -110.73 140.05 45.47 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.033 0.444 . . . . 0.0 110.872 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 67.3 p -69.44 156.82 38.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.525 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -64.34 -42.08 96.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.657 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -62.76 -42.63 99.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.691 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -64.19 -38.89 92.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.914 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -63.27 -45.27 92.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.636 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -62.96 -39.69 95.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.658 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.9 -42.61 99.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.634 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -67.45 -35.98 80.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.124 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.66 -47.06 83.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.333 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.42 98.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.906 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.53 94.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.672 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' PHE . . . . . 0.461 ' CD2' ' CE1' ' C' ' 74' ' ' PHE . 69.3 t80 -58.3 -39.43 79.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.66 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -49.76 -28.96 6.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.536 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.62 -38.96 83.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.378 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -61.03 -29.79 69.93 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.665 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.719 ' O ' HG12 ' C' ' 28' ' ' VAL . 58.5 t -83.69 26.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.424 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 33.1 tp -60.72 101.92 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.014 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.8 39.8 48.02 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.15 135.45 49.35 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.609 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -66.19 -43.22 87.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.519 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -105.08 10.92 33.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.704 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.18 3.77 90.61 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 37.6 m -135.3 176.56 8.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.988 0.423 . . . . 0.0 110.902 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.429 HD12 ' HB ' ' C' ' 72' ' ' VAL . 36.0 mt -69.61 123.62 23.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.723 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 37.7 t -111.81 169.38 8.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.51 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' THR . . . . . 0.414 ' H ' HG22 ' C' ' 38' ' ' THR . 0.2 OUTLIER -56.68 -33.9 66.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.474 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -63.08 -42.9 99.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.688 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -70.81 -43.74 68.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.054 0.454 . . . . 0.0 111.042 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 tp -64.61 -27.09 68.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.615 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.08 -38.52 93.14 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -43.96 97.71 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.63 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.18 -46.37 96.76 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.47 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 24.8 mmt -64.74 -37.51 87.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.583 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -53.17 -56.47 16.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.854 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 20.7 ptt? -70.31 -21.33 62.94 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.534 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.422 HD11 HG12 ' C' ' 99' ' ' VAL . 16.4 tp -65.19 -14.6 61.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.192 -179.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.21 9.6 44.33 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -124.17 140.39 53.01 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -133.21 58.22 33.02 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.75 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -72.05 159.38 50.22 Favored 'Trans proline' 0 C--N 1.307 -1.613 0 C-N-CA 122.911 2.408 . . . . 0.0 112.451 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 17.8 p -63.82 150.24 91.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.838 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -62.05 -30.93 83.49 Favored 'Trans proline' 0 N--CA 1.492 1.441 0 C-N-CA 122.143 1.896 . . . . 0.0 112.245 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.03 -39.98 95.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.234 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -65.53 -42.01 92.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.548 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 16.5 mt -64.57 -40.88 96.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.044 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -61.73 -43.1 99.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.673 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -63.94 -42.34 97.37 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.074 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 65.7 mtt -63.62 -41.45 98.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.68 -40.75 89.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.426 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -59.86 -41.07 90.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.372 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.69 -45.28 75.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.689 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 72.3 t -67.82 -39.12 81.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.76 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' C' ' 69' ' ' SER . 60.5 t0 -52.38 127.62 22.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.962 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -72.67 -42.54 64.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.545 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -90.78 -1.26 57.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.08 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.83 19.71 67.74 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 69' ' ' SER . . . . . 0.535 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 94.3 p -71.37 -16.98 62.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.767 0.317 . . . . 0.0 110.818 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 70' ' ' GLY . . . . . 0.467 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 86.12 -2.59 87.61 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 70.1 p -131.41 157.28 43.85 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.597 0.237 . . . . 0.0 110.548 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 72' ' ' VAL . . . . . 0.429 ' HB ' HD12 ' C' ' 36' ' ' ILE . 2.3 t -101.96 112.42 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.917 0.389 . . . . 0.0 110.492 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -85.14 177.27 7.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.524 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 74' ' ' PHE . . . . . 0.461 ' CE1' ' CD2' ' C' ' 24' ' ' PHE . 5.7 m-85 -59.27 -46.88 87.33 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 75' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 1.2 p30 -66.45 -45.29 80.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.904 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.509 ' N ' ' OD1' ' C' ' 75' ' ' ASP . 30.5 tt0 -62.36 -43.7 98.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.827 0.346 . . . . 0.0 110.627 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -61.12 -44.0 98.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.508 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 4.4 tp -55.19 -41.25 71.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.162 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 61.5 t -69.05 -42.6 82.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.939 0.399 . . . . 0.0 110.542 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 18.5 ttp -59.96 -45.19 93.46 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.387 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 10.4 tpp -61.18 -45.65 93.72 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.024 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.46 -45.73 98.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.004 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -60.91 -43.6 98.35 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.67 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 84' ' ' 4J4 . . . . . 0.601 ' SG ' ' N ' ' C' ' 85' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 85' ' ' MET . . . . . 0.601 ' N ' ' SG ' ' C' ' 84' ' ' 4J4 . 61.1 tpp -66.84 -38.02 85.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.618 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -52.67 -54.05 38.78 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.572 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -64.44 -46.02 84.98 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.801 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -62.96 -39.02 93.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.586 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 97.9 p -68.12 -41.85 81.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 90' ' ' GLU . . . . . 0.461 ' O ' ' OD1' ' C' ' 91' ' ' ASN . 57.1 mt-10 -67.73 -49.86 60.35 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.426 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 91' ' ' ASN . . . . . 0.461 ' OD1' ' O ' ' C' ' 90' ' ' GLU . 78.4 m-20 -155.29 -134.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.418 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 38.2 tp -152.31 -38.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.569 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 54.6 -132.8 1.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.411 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.56 -38.52 2.08 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.652 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -104.17 136.71 43.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.802 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . 131.36 105.01 1.01 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 52.17 88.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.979 0.419 . . . . 0.0 110.381 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -96.13 84.05 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.597 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 99' ' ' VAL . . . . . 0.422 HG12 HD11 ' C' ' 48' ' ' LEU . 23.8 m -134.61 159.0 41.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.426 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 45.3 ptt85 -101.14 26.71 6.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.646 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 21.5 tt -136.42 138.25 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.569 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 26.6 t -89.23 161.78 16.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.01 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.27 83.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.34 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.19 -42.12 94.4 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.16 0.505 . . . . 0.0 109.995 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.88 -39.78 66.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.069 0.462 . . . . 0.0 110.505 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 16.9 tpt -61.57 -49.4 76.79 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.451 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -66.97 -34.02 76.84 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.249 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -61.93 -46.08 90.9 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.495 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.07 -41.6 94.93 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.831 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.89 -40.21 96.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.682 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.45 -16.71 62.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.48 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . 70.42 25.85 75.05 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.83 144.15 55.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.633 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 114' ' ' ARG . . . . . 0.656 ' O ' ' HB3' ' C' ' 115' ' ' ALA . 26.9 mtp-105 -100.85 -150.67 0.39 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.403 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 115' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' C' ' 114' ' ' ARG . . . 79.71 172.9 0.15 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.451 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -72.63 142.71 48.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 117' ' ' GLU . . . . . 0.452 ' O ' ' OD1' ' C' ' 120' ' ' ASP . 94.1 mt-10 -73.18 -34.26 65.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.577 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 86.3 p -60.62 -37.83 82.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.753 -179.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 119' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' C' ' 121' ' ' LEU . 2.3 mp -81.67 -56.67 3.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.739 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 120' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' C' ' 117' ' ' GLU . 7.8 p-10 33.12 35.79 0.01 OUTLIER 'General case' 0 C--O 1.232 0.182 0 O-C-N 123.752 0.658 . . . . 0.0 110.491 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 121' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' C' ' 119' ' ' LEU . 3.0 tp 61.75 160.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.294 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -70.62 146.72 49.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.319 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.61 118.06 26.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.682 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -138.58 143.64 39.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.313 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 17.3 tp -89.01 112.82 23.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.835 0.35 . . . . 0.0 110.362 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.443 179.881 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' -13' ' ' HIS . . . . . 0.442 ' O ' ' O ' ' C' ' -10' ' ' HIS . 72.6 m-70 . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' -12' ' ' HIS . . . . . 0.452 ' NE2' ' NE2' ' C' ' -11' ' ' HIS . 50.8 p-80 -60.5 -24.44 65.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.645 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' -11' ' ' HIS . . . . . 0.452 ' NE2' ' NE2' ' C' ' -12' ' ' HIS . 84.0 m-70 -67.09 -39.84 86.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.972 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' -10' ' ' HIS . . . . . 0.442 ' O ' ' O ' ' C' ' -13' ' ' HIS . 74.1 m80 -139.97 141.68 36.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.555 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 43.6 p-80 -76.9 169.03 19.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.774 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.83 -48.22 3.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.719 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . 82.41 5.53 89.48 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' -6' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' C' ' -4' ' ' VAL . . . -60.57 -40.6 98.07 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 2.7 tp 60.26 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.784 0.326 . . . . 0.0 110.478 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' -4' ' ' VAL . . . . . 0.527 ' N ' ' O ' ' C' ' -6' ' ' GLY . 43.7 t -145.3 71.38 14.43 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.574 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' -3' ' ' PRO . . . . . 0.571 ' O ' ' N ' ' C' ' -1' ' ' GLY . 68.6 Cg_endo -78.99 64.13 8.79 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.677 2.252 . . . . 0.0 112.126 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 56.38 -74.91 0.01 OUTLIER 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.018 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' -1' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' C' ' -3' ' ' PRO . . . 62.15 -132.32 45.56 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 1.3 t -74.46 -175.27 2.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.765 0.317 . . . . 0.0 110.663 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.68 108.38 19.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.566 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 2' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' C' ' 2' ' ' ASP . 66.4 t0 -58.98 -29.56 67.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.602 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -58.18 -41.67 84.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.805 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.25 -43.34 98.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.19 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -63.44 -43.08 98.46 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.274 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -63.2 -44.15 96.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.48 -42.56 98.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.67 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.25 99.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.487 ' O ' ' O ' ' C' ' 12' ' ' LEU . 63.1 t -63.51 -42.71 97.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.452 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.87 -45.65 92.85 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.939 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -71.44 -40.65 70.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' C' ' 9' ' ' VAL . 87.6 mt -89.1 145.69 25.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.8 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 46.0 p -115.7 178.75 4.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.248 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -60.18 -40.61 90.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.847 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' GLU . . . . . 0.546 ' O ' ' ND2' ' C' ' 18' ' ' ASN . 88.1 tt0 -62.06 -40.89 97.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.147 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -62.66 -40.79 98.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.671 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -61.65 -39.98 93.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.556 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' C' ' 15' ' ' GLU . 0.1 OUTLIER -63.26 -47.81 80.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.273 -179.84 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 19' ' ' GLU . . . . . 0.472 ' N ' ' CG ' ' C' ' 18' ' ' ASN . 0.8 OUTLIER -65.36 -40.33 93.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.647 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.96 -26.49 68.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.353 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -59.53 -39.72 84.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.207 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.96 97.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.704 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.33 99.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.916 0.388 . . . . 0.0 110.505 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' PHE . . . . . 0.637 ' O ' HG22 ' C' ' 28' ' ' VAL . 76.4 t80 -60.49 -43.34 97.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.506 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -59.19 -41.4 88.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.722 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.19 -41.75 89.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.95 0.405 . . . . 0.0 110.597 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -63.06 -37.57 87.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.177 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.637 HG22 ' O ' ' C' ' 24' ' ' PHE . 19.0 m -102.49 28.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.81 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 29' ' ' LEU . . . . . 0.593 HD13 ' N ' ' C' ' 30' ' ' GLY . 0.2 OUTLIER -65.28 121.84 15.73 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.036 -179.867 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 30' ' ' GLY . . . . . 0.593 ' N ' HD13 ' C' ' 29' ' ' LEU . . . 82.71 12.27 80.3 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.35 111.25 12.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.775 0.321 . . . . 0.0 110.162 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.05 -39.73 95.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.687 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -87.94 -10.19 51.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.631 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.86 -8.22 80.16 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 97.3 p -102.8 159.63 15.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.708 0.289 . . . . 0.0 110.561 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.431 ' H ' HG22 ' C' ' 36' ' ' ILE . 1.9 tt -83.3 121.89 36.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.597 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 10.6 p -120.82 -165.58 1.23 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.357 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 46.8 p -64.84 -38.17 90.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.761 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.73 -44.14 96.98 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.957 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 43.2 mp0 -63.96 -45.02 90.98 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.147 0.499 . . . . 0.0 110.811 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' LEU . . . . . 0.605 HD22 HD22 ' C' ' 57' ' ' LEU . 2.6 tt -67.34 -40.46 85.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.855 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.69 -39.91 98.06 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -59.19 -45.9 89.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.3 -42.84 95.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.518 -0.473 . . . . 0.0 109.971 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 13.2 mmt -62.26 -41.57 98.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.985 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.71 -39.67 94.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.989 0.423 . . . . 0.0 110.447 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 64.1 ttp -62.07 -40.59 96.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.183 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 7.4 mp -74.04 -3.85 31.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.67 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.9 7.01 66.61 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -95.57 139.17 32.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.729 0.299 . . . . 0.0 110.592 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -131.74 66.21 77.5 Favored Pre-proline 0 N--CA 1.462 0.169 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 52' ' ' PRO . . . . . 0.485 ' HG2' HD21 ' C' ' 57' ' ' LEU . 51.4 Cg_endo -71.67 152.85 59.51 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 122.601 2.2 . . . . 0.0 112.13 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 21.5 p -70.7 151.97 95.27 Favored Pre-proline 0 C--N 1.323 -0.574 0 C-N-CA 120.354 -0.539 . . . . 0.0 111.234 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.79 -39.84 82.42 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 121.842 1.695 . . . . 0.0 112.714 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 55' ' ' GLU . . . . . 0.477 ' CG ' ' N ' ' C' ' 56' ' ' GLU . 21.3 pt-20 -62.51 -42.4 99.48 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.827 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 56' ' ' GLU . . . . . 0.477 ' N ' ' CG ' ' C' ' 55' ' ' GLU . 56.7 mt-10 -64.1 -40.7 96.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.495 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 57' ' ' LEU . . . . . 0.605 HD22 HD22 ' C' ' 41' ' ' LEU . 92.0 mt -63.16 -42.46 99.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.977 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -64.49 -42.71 95.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.705 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -64.94 -42.19 94.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.502 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 87.5 mtp -62.95 -42.25 99.76 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.812 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 81.2 mt -62.77 -42.73 97.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.594 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -59.7 -41.8 91.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.638 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.25 -44.42 95.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.894 0.378 . . . . 0.0 110.457 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 57.4 t -76.7 -38.48 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 63.8 t0 -42.09 143.39 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.758 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 66' ' ' GLU . . . . . 0.519 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 50.8 mt-10 -85.95 -43.3 13.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.202 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.9 p30 -105.67 -0.88 25.18 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.129 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 68' ' ' GLY . . . . . 0.454 ' H ' ' CG ' ' C' ' 65' ' ' ASP . . . 66.87 17.85 67.89 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 69' ' ' SER . . . . . 0.47 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 88.2 p -71.57 -15.9 62.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.906 0.384 . . . . 0.0 110.787 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.24 -18.98 56.33 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 84.7 m -134.05 138.7 45.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.556 0.217 . . . . 0.0 110.474 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 72' ' ' VAL . . . . . 0.808 HG11 ' SD ' ' C' ' 80' ' ' MET . 34.4 m -107.46 134.89 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.991 0.424 . . . . 0.0 110.693 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -88.89 -177.3 5.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.398 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.24 -46.97 87.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.401 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -61.34 -46.69 89.18 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.06 0.457 . . . . 0.0 110.862 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -65.52 -37.46 86.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.384 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -59.04 -47.04 86.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.384 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.02 -42.12 89.4 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.353 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 64.5 t -63.5 -40.53 89.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.535 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 80' ' ' MET . . . . . 0.808 ' SD ' HG11 ' C' ' 72' ' ' VAL . 82.3 mtp -59.74 -40.03 86.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.208 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 6.1 tpt -55.12 -58.25 8.42 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.118 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 82' ' ' VAL . . . . . 0.483 HG13 ' N ' ' C' ' 83' ' ' ARG . 10.7 p -71.95 -40.7 68.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 120.842 0.353 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 83' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' C' ' 86' ' ' LYS . 51.2 ttt85 -58.46 -39.6 80.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.882 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 84' ' ' 4J4 . . . . . 0.51 ' C ' ' O ' ' C' ' 83' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 11.8 mtm -65.05 -38.89 92.32 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.313 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 86' ' ' LYS . . . . . 0.545 ' N ' ' O ' ' C' ' 83' ' ' ARG . 2.2 tmtt? -56.83 -51.8 67.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.761 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 87' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' C' ' 83' ' ' ARG . 2.2 p-10 -65.4 -38.05 88.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.863 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -60.33 -45.45 93.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.647 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 72.9 m -63.05 -40.6 98.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.628 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -62.15 -42.66 99.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.545 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 91' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' C' ' 92' ' ' LEU . 21.5 t-20 -60.37 -37.33 80.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.354 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 92' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' C' ' 91' ' ' ASN . 1.6 tp 85.25 -153.75 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.225 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -107.41 15.74 24.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.448 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.17 -67.5 0.51 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.981 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 95' ' ' GLN . . . . . 0.408 ' O ' ' OD1' ' C' ' 91' ' ' ASN . 2.3 mt-30 -123.87 147.67 47.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.599 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -140.77 -71.37 0.04 OUTLIER Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 14.3 ttm105 66.24 0.2 1.62 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 98' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' C' ' 99' ' ' VAL . 65.5 ttp85 -99.92 100.28 11.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.201 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 99' ' ' VAL . . . . . 0.586 HG12 ' H ' ' C' ' 100' ' ' ARG . 0.4 OUTLIER 40.61 -162.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.419 -179.502 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 100' ' ' ARG . . . . . 0.586 ' H ' HG12 ' C' ' 99' ' ' VAL . 0.0 OUTLIER -134.05 7.63 3.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.654 -179.736 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 22.0 pt -128.67 155.03 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.697 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 83.4 p -73.99 167.09 22.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.648 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.2 -37.99 81.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.435 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -57.88 -49.05 78.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 110.324 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.69 -38.76 92.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.041 0.448 . . . . 0.0 110.588 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.06 -38.32 82.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.424 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 59.0 ttm -57.22 -47.94 80.05 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.106 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -66.05 -42.13 89.9 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.366 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 109' ' ' ALA . . . . . 0.547 ' O ' ' N ' ' C' ' 113' ' ' ALA . . . -63.6 -39.1 93.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.813 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 5.9 tp -58.72 -61.91 2.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.407 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.12 -39.9 95.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.703 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 112' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' C' ' 114' ' ' ARG . . . -77.73 -12.84 84.08 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 113' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' C' ' 109' ' ' ALA . . . 49.06 -89.03 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.691 0.282 . . . . 0.0 110.53 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 114' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' C' ' 112' ' ' GLY . 30.4 mtp180 -103.39 154.01 19.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.236 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -44.34 106.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.357 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -171.41 148.07 2.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.688 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -109.56 89.72 3.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.876 0.37 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 47.2 t -63.3 -44.59 94.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.65 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 119' ' ' LEU . . . . . 0.723 ' H ' HD23 ' C' ' 119' ' ' LEU . 0.1 OUTLIER -61.44 -68.89 0.27 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.751 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -77.89 131.59 37.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.507 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 95.3 mt -120.63 121.39 38.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.267 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.88 177.36 7.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.554 -179.194 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . 54.68 92.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.396 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -70.86 135.24 47.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.049 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 86.7 mt -89.43 143.78 26.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.553 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 63.7 mttp . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.569 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' -13' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' C' ' -11' ' ' HIS . 4.0 t-80 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 85.0 t60 52.18 -91.05 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.476 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' -11' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' C' ' -13' ' ' HIS . 64.5 t-80 -62.94 -44.33 96.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.677 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -73.22 148.12 44.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.728 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -79.6 138.84 37.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.571 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -97.12 -9.17 28.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.325 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -61.48 -40.35 98.57 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . 60.9 -109.24 2.28 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 9.5 mp -72.68 -175.23 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.602 0.239 . . . . 0.0 110.538 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' -4' ' ' VAL . . . . . 0.641 ' O ' HG13 ' C' ' -4' ' ' VAL . 7.6 p -43.38 110.2 0.89 Allowed Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.678 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -75.27 148.28 34.04 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.677 2.251 . . . . 0.0 112.104 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.64 115.13 27.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.369 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . 89.0 160.16 36.15 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.95 -2.23 2.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.802 0.334 . . . . 0.0 110.576 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 31.5 mtp 51.77 23.71 2.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.424 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -60.72 -41.19 94.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.511 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -59.95 -39.6 86.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.482 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' ILE . . . . . 0.605 ' N ' HD12 ' C' ' 4' ' ' ILE . 1.7 mp -60.35 -47.13 93.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.685 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -66.22 -42.5 88.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.518 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 35.6 tptt -65.54 -43.45 89.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.585 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.05 -43.3 99.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.692 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' ALA . . . . . 0.545 ' O ' ' N ' ' C' ' 12' ' ' LEU . . . -61.97 -44.4 96.82 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.499 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 75.1 t -67.05 -41.24 86.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.013 0.435 . . . . 0.0 110.656 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -62.82 -44.17 96.85 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.09 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -91.5 -43.05 9.92 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.122 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' C' ' 8' ' ' ALA . 39.2 mt -108.63 159.58 16.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.372 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 58.5 p -102.64 168.2 9.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.394 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.13 -36.62 80.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.388 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -59.83 -42.82 94.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.529 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' GLN . . . . . 0.454 ' OE1' ' CE ' ' C' ' 107' ' ' MET . 99.5 mm-40 -66.43 -40.5 89.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.759 0.314 . . . . 0.0 110.769 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -62.82 -44.49 96.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.581 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -64.61 -41.16 96.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.671 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -61.34 -40.58 94.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.804 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -61.74 -45.7 92.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.057 0.456 . . . . 0.0 110.431 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -47.38 73.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.424 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.17 93.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.883 0.373 . . . . 0.0 110.812 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.81 -26.03 67.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.738 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' PHE . . . . . 0.777 ' O ' HG23 ' C' ' 28' ' ' VAL . 91.5 t80 -53.28 -37.35 62.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.352 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -58.18 -40.54 81.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.28 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 48.3 mm -68.44 -42.85 84.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.521 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -65.71 -25.52 67.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.728 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.777 HG23 ' O ' ' C' ' 24' ' ' PHE . 79.6 t -70.93 -22.7 23.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.538 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 29' ' ' LEU . . . . . 0.44 ' O ' ' OE2' ' C' ' 40' ' ' GLU . 57.5 tp -61.01 124.81 21.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.461 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.15 -11.68 65.56 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.95 122.63 24.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.888 0.375 . . . . 0.0 110.424 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.83 -40.61 97.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.12 -1.92 57.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 34' ' ' GLY . . . . . 0.585 ' O ' HG13 ' C' ' 28' ' ' VAL . . . 81.58 4.3 90.41 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 67.3 m -122.16 155.48 35.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.845 0.355 . . . . 0.0 110.387 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 71.0 mt -60.58 124.99 15.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.584 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 1.4 m -126.63 -164.11 1.3 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.381 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 97.9 m -61.45 -42.72 99.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.564 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -61.23 -46.0 92.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.44 ' OE2' ' O ' ' C' ' 29' ' ' LEU . 76.2 mm-40 -68.61 -44.31 74.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.943 0.401 . . . . 0.0 110.987 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.19 -26.83 68.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.415 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 42' ' ' GLY . . . . . 0.459 ' C ' ' NH1' ' C' ' 46' ' ' ARG . . . -58.1 -36.61 82.59 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -59.89 -41.19 91.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.389 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.7 -41.53 92.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.392 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 21.3 mmt -62.24 -39.93 94.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.714 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 46' ' ' ARG . . . . . 0.459 ' NH1' ' C ' ' C' ' 42' ' ' GLY . 84.5 mtt85 -61.18 -40.13 92.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.225 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 32.1 ttp -62.02 -39.98 94.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.97 0.414 . . . . 0.0 110.677 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.5 mt -73.82 -6.0 44.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.564 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.8 15.45 65.48 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -107.42 135.11 49.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.723 0.297 . . . . 0.0 110.448 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -133.05 61.23 54.68 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.704 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 52' ' ' PRO . . . . . 0.494 ' HG2' HD11 ' C' ' 57' ' ' LEU . 55.7 Cg_endo -74.15 164.86 33.31 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.965 2.443 . . . . 0.0 112.194 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 75.2 p -64.39 147.71 96.95 Favored Pre-proline 0 N--CA 1.448 -0.552 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.563 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.71 -31.51 39.75 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.467 2.111 . . . . 0.0 112.28 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 58.5 mp0 -63.31 -44.01 96.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.629 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -66.19 -39.95 90.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.413 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 57' ' ' LEU . . . . . 0.494 HD11 ' HG2' ' C' ' 52' ' ' PRO . 18.0 mt -63.23 -40.53 97.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.894 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.57 -40.86 98.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.516 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -61.3 -42.73 99.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.327 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 21.3 mmt -63.68 -40.92 98.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.697 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 61' ' ' ILE . . . . . 0.451 ' O ' HG12 ' C' ' 64' ' ' VAL . 0.9 OUTLIER -60.86 -37.33 76.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.278 0.561 . . . . 0.0 110.016 -179.557 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -65.39 -43.28 91.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.944 0.402 . . . . 0.0 110.049 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -72.07 -40.4 68.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.359 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 64' ' ' VAL . . . . . 0.451 HG12 ' O ' ' C' ' 61' ' ' ILE . 0.3 OUTLIER -59.98 -30.97 46.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.436 -178.632 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.462 ' OD2' ' CA ' ' C' ' 70' ' ' GLY . 99.3 m-20 -56.6 113.99 1.85 Allowed 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.275 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -66.88 -43.01 84.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.699 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 59.8 p30 -94.95 -0.25 54.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.762 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.13 24.97 74.66 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 99.5 p -65.09 -16.11 63.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.758 0.313 . . . . 0.0 110.59 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 70' ' ' GLY . . . . . 0.462 ' CA ' ' OD2' ' C' ' 65' ' ' ASP . . . 92.21 -6.51 78.54 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 66.5 p -132.07 162.3 31.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.765 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 72' ' ' VAL . . . . . 0.401 ' O ' HG22 ' C' ' 72' ' ' VAL . 0.7 OUTLIER -101.92 109.08 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.571 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 73' ' ' ASP . . . . . 0.416 ' CG ' ' N ' ' C' ' 74' ' ' PHE . 18.8 t70 -78.27 170.02 17.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.572 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 74' ' ' PHE . . . . . 0.416 ' N ' ' CG ' ' C' ' 73' ' ' ASP . 0.0 OUTLIER -57.12 -47.03 82.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.46 -179.788 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 75' ' ' ASP . . . . . 0.641 ' O ' HG23 ' C' ' 79' ' ' VAL . 98.3 m-20 -60.53 -42.69 97.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.694 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.76 -41.79 91.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.829 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -63.1 -45.34 92.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.332 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 5.1 tp -63.04 -37.27 86.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.431 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 79' ' ' VAL . . . . . 0.641 HG23 ' O ' ' C' ' 75' ' ' ASP . 55.7 t -60.83 -44.68 98.14 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.426 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 81.5 mmm -63.93 -41.49 97.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.853 0.359 . . . . 0.0 111.367 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 81' ' ' MET . . . . . 0.444 ' O ' ' SG ' ' C' ' 84' ' ' 4J4 . 31.3 ttm -61.37 -49.93 74.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.704 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 82' ' ' VAL . . . . . 0.445 HG23 ' N ' ' C' ' 83' ' ' ARG . 18.4 m -71.34 -38.35 68.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.758 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 83' ' ' ARG . . . . . 0.445 ' N ' HG23 ' C' ' 82' ' ' VAL . 68.6 ttp85 -61.53 -40.81 96.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.247 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 84' ' ' 4J4 . . . . . 0.577 ' SG ' ' N ' ' C' ' 85' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 85' ' ' MET . . . . . 0.577 ' N ' ' SG ' ' C' ' 84' ' ' 4J4 . 24.2 mtt -62.25 -42.45 99.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -62.93 -46.16 89.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.929 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -65.3 -40.23 93.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.399 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -61.14 -36.01 78.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.738 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 75.3 m -57.78 -28.28 63.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.555 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -58.93 -22.06 59.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.297 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 91' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -100.18 129.6 46.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.742 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 3.5 tt -161.88 -21.44 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.94 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -53.57 131.62 38.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.598 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 39.41 -117.87 0.25 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.472 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -105.69 129.81 53.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.55 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.81 -131.32 2.91 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -123.81 114.11 19.45 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.729 0.299 . . . . 0.0 110.252 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -114.54 145.78 41.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.903 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 99' ' ' VAL . . . . . 0.468 HG12 ' O ' ' C' ' 101' ' ' ILE . 41.2 t -66.2 -45.93 88.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.911 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 71.29 -53.56 0.68 Allowed 'General case' 0 C--N 1.331 -0.224 0 O-C-N 123.29 0.369 . . . . 0.0 110.928 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 101' ' ' ILE . . . . . 0.468 ' O ' HG12 ' C' ' 99' ' ' VAL . 97.2 mt -87.93 128.24 40.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.747 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 102' ' ' SER . . . . . 0.437 ' OG ' ' OD2' ' C' ' 104' ' ' ASP . 46.8 t -79.57 145.85 32.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.12 0.486 . . . . 0.0 110.812 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.96 -40.45 95.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.73 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 104' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' C' ' 105' ' ' ALA . 2.0 p30 -60.01 -41.18 91.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.694 -179.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 105' ' ' ALA . . . . . 0.555 ' N ' ' OD1' ' C' ' 104' ' ' ASP . . . -62.22 -38.62 89.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.459 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 87.8 mtp -61.41 -44.46 97.1 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.588 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 107' ' ' MET . . . . . 0.454 ' CE ' ' OE1' ' C' ' 16' ' ' GLN . 76.0 mtm -65.03 -40.82 95.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.867 0.365 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -61.72 -45.52 93.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.985 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.54 91.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 5.4 mp -62.31 -43.71 98.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.44 -20.35 64.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.806 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . 67.66 36.66 88.15 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -69.39 -6.84 32.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.736 0.303 . . . . 0.0 110.595 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 114' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' C' ' 115' ' ' ALA . 91.2 mtm-85 55.67 39.14 30.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.393 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 115' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' C' ' 114' ' ' ARG . . . 67.07 27.73 8.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.499 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 116' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' C' ' 115' ' ' ALA . 4.8 mtmt 46.49 -173.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.59 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -89.54 54.97 3.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.529 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 41.2 t -58.96 -37.46 76.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.247 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 46.2 tp -57.16 -38.63 73.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.017 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 43.8 85.08 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.684 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 1.5 mt -60.45 -29.75 69.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.724 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -59.22 124.86 21.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.364 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -176.39 -50.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.568 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 57.3 p-80 -156.78 161.05 39.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.498 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 60.3 tp -132.26 130.29 40.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.629 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.529 179.302 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 43.4 p-80 -114.94 0.3 13.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.631 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' -11' ' ' HIS . . . . . 0.523 ' O ' ' ND1' ' C' ' -11' ' ' HIS . 56.7 t-80 -81.47 10.29 6.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.558 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -62.58 -39.45 93.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.62 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -110.2 168.77 9.19 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.498 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -61.98 -38.88 90.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.534 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -123.88 19.11 7.44 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . 66.0 -147.8 50.48 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 58.6 tp -87.94 118.22 27.33 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.057 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 57.8 t -137.07 95.38 11.97 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.597 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.18 146.68 48.25 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.421 2.081 . . . . 0.0 111.986 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 16.7 mtt-85 -39.33 131.7 1.55 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.697 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . -137.17 -158.58 7.98 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.9 -69.82 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.745 0.307 . . . . 0.0 110.591 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.603 ' HB3' HD12 ' C' ' 4' ' ' ILE . 16.8 mmt -132.04 54.51 1.93 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.651 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -62.52 -37.96 88.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.774 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.78 -43.36 94.44 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.761 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' ILE . . . . . 0.603 HD12 ' HB3' ' C' ' 1' ' ' MET . 95.7 mt -64.04 -40.99 91.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.308 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -57.99 -48.26 80.55 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.646 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -65.61 -41.42 92.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.001 0.429 . . . . 0.0 110.895 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.52 -41.64 97.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.697 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.98 -42.61 98.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.63 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' C' ' 12' ' ' LEU . 60.4 t -62.87 -39.14 83.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.719 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -58.39 -42.64 87.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.313 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.92 -39.73 19.44 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.579 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' C' ' 9' ' ' VAL . 94.2 mt -79.01 140.26 38.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.544 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 70.3 p -109.06 169.3 8.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.4 -39.28 90.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.326 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.41 -46.83 88.61 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.182 0.515 . . . . 0.0 110.673 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -64.48 -40.31 95.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.246 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -62.39 -39.07 92.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.083 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -59.09 -43.4 91.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.403 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.79 -45.62 93.7 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.215 0.531 . . . . 0.0 110.495 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -66.33 -35.6 80.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.599 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -58.06 -46.73 84.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.53 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.85 -43.86 97.99 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.277 0.561 . . . . 0.0 110.532 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.23 -40.02 94.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.418 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -59.36 -45.11 92.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.732 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -58.25 -42.65 86.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.938 0.399 . . . . 0.0 110.267 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.8 mt -67.4 -38.62 81.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.632 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' PHE . . . . . 0.761 ' CZ ' HG11 ' C' ' 44' ' ' VAL . 4.7 t80 -56.72 -40.03 74.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.604 -178.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.438 HG11 ' O ' ' C' ' 34' ' ' GLY . 27.6 m -83.84 28.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.583 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.84 120.88 5.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.842 0.353 . . . . 0.0 110.539 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.59 -8.21 74.44 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -115.05 97.93 6.5 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.015 0.436 . . . . 0.0 110.46 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -64.91 -35.74 82.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.562 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -63.0 -26.39 68.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.648 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' GLY . . . . . 0.438 ' O ' HG11 ' C' ' 28' ' ' VAL . . . 95.16 -7.26 69.36 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 86.9 p -77.48 162.83 26.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.798 0.332 . . . . 0.0 110.513 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 35.0 pt -134.95 144.12 35.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.75 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 4.4 t -132.24 -164.63 1.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.266 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 63.0 p -64.0 -37.01 85.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.491 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -62.23 -47.3 85.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.863 0.363 . . . . 0.0 110.83 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -43.91 88.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.999 0.428 . . . . 0.0 110.314 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 41' ' ' LEU . . . . . 0.463 ' O ' ' CG ' ' C' ' 45' ' ' MET . 77.4 mt -62.22 -39.51 93.01 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.387 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.75 -39.38 97.36 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.79 -53.4 27.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.689 0.28 . . . . 0.0 111.565 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 44' ' ' VAL . . . . . 0.761 HG11 ' CZ ' ' C' ' 27' ' ' PHE . 11.7 p -67.73 -32.31 56.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.385 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 45' ' ' MET . . . . . 0.463 ' CG ' ' O ' ' C' ' 41' ' ' LEU . 7.2 mmt -60.89 -45.95 92.57 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.779 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -63.06 -40.9 99.08 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.3 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 16.3 tmm? -63.17 -40.62 98.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.768 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 20.5 mt -64.63 -19.15 65.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.681 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 100.11 8.18 51.1 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 50' ' ' GLN . . . . . 0.436 ' O ' ' O ' ' C' ' 45' ' ' MET . 5.0 pt20 -123.07 139.78 53.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.391 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 51' ' ' ASN . . . . . 0.403 ' O ' ' OD1' ' C' ' 51' ' ' ASN . 33.4 t-20 -131.7 75.03 76.98 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.816 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -72.15 154.95 57.1 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 122.568 2.179 . . . . 0.0 112.344 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 22.5 p -61.88 136.22 94.89 Favored Pre-proline 0 C--N 1.323 -0.564 0 C-N-CA 119.811 -0.756 . . . . 0.0 111.332 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.83 -38.75 78.66 Favored 'Trans proline' 0 N--CA 1.5 1.885 0 C-N-CA 121.942 1.761 . . . . 0.0 112.479 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -62.12 -43.33 99.07 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.567 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.09 -39.37 93.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 84.4 mt -61.8 -42.74 99.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.717 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -65.0 -40.8 95.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.457 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -62.7 -43.82 97.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.241 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 60' ' ' MET . . . . . 0.624 ' O ' HG22 ' C' ' 64' ' ' VAL . 28.3 ttt -62.1 -44.04 97.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.548 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 88.2 mt -61.37 -43.92 97.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.555 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -65.14 -42.13 94.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.971 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.64 -41.8 98.2 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.262 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 64' ' ' VAL . . . . . 0.624 HG22 ' O ' ' C' ' 60' ' ' MET . 19.7 m -88.27 7.89 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.427 ' OD2' ' N ' ' C' ' 70' ' ' GLY . 29.9 t0 -75.43 125.04 28.21 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.371 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -90.77 -46.81 8.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.149 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 56.2 p-10 -91.87 -1.25 57.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.98 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.06 12.51 62.9 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 87.9 p -66.51 -26.53 67.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.938 0.399 . . . . 0.0 111.047 -179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 70' ' ' GLY . . . . . 0.427 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 84.57 5.3 86.92 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 27.2 m -129.85 141.93 50.75 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.639 0.257 . . . . 0.0 110.475 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 41.3 t -81.35 117.4 27.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.156 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -93.9 178.19 5.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.523 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -58.54 -48.77 79.77 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.559 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.87 -44.16 93.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.997 0.427 . . . . 0.0 110.544 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.88 -37.65 87.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.473 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -59.4 -45.67 90.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.4 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 78' ' ' LEU . . . . . 0.626 ' O ' HG23 ' C' ' 82' ' ' VAL . 99.0 mt -60.88 -39.96 91.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.131 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.29 -42.43 95.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.756 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 48.8 tpp -57.25 -48.7 78.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.305 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 14.8 mmt -65.21 -39.35 92.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.844 0.354 . . . . 0.0 110.968 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 82' ' ' VAL . . . . . 0.626 HG23 ' O ' ' C' ' 78' ' ' LEU . 60.9 t -61.48 -44.68 98.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.721 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.79 -40.34 94.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.827 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 85' ' ' MET . . . . . 0.487 ' O ' ' OD1' ' C' ' 88' ' ' ASP . 65.4 mtt -63.91 -39.68 94.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.827 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -70.9 -42.17 70.31 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.511 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.08 -43.96 70.06 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.972 0.415 . . . . 0.0 111.589 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 88' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' C' ' 85' ' ' MET . 52.2 p30 -75.23 -1.39 23.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.473 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 59.7 p -66.88 -25.35 66.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.335 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 90' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' C' ' 91' ' ' ASN . 13.4 mm-40 -96.28 -45.93 6.63 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 91' ' ' ASN . . . . . 0.42 ' O ' ' O ' ' C' ' 90' ' ' GLU . 1.7 t30 54.0 107.78 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.907 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 1.8 tp -68.03 -169.45 0.13 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.437 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -98.99 4.87 47.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.76 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -100.82 123.79 45.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.605 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -109.16 140.28 42.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.518 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -158.55 -168.87 21.33 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -73.37 72.61 1.33 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.008 0.432 . . . . 0.0 110.218 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -99.55 -81.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.611 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 99' ' ' VAL . . . . . 0.834 HG23 ' H ' ' C' ' 100' ' ' ARG . 10.9 m -136.78 -63.92 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.667 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 100' ' ' ARG . . . . . 0.834 ' H ' HG23 ' C' ' 99' ' ' VAL . 47.9 ttp85 70.57 -30.77 0.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.721 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 101' ' ' ILE . . . . . 0.531 ' H ' ' C ' ' C' ' 99' ' ' VAL . 18.1 tt -83.76 139.98 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.483 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 52.2 m -92.39 155.8 17.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.77 97.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.861 0.362 . . . . 0.0 110.625 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -63.0 -41.32 99.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.0 0.429 . . . . 0.0 110.524 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.88 -39.32 94.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.522 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 15.5 tpt -59.73 -44.29 93.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.216 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 54.6 ttp -61.89 -46.02 91.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.336 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 108' ' ' GLN . . . . . 0.55 ' O ' ' N ' ' C' ' 112' ' ' GLY . 77.8 mt-30 -64.21 -39.61 94.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.461 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.27 -41.6 97.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.583 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 10.9 mt -69.48 -47.66 63.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.661 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 4.2 mp -109.29 -52.42 2.77 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.901 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 112' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . 64.46 17.77 62.5 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -85.34 160.32 19.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.771 0.319 . . . . 0.0 110.839 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -65.78 139.26 58.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.297 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.17 65.91 0.84 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.609 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 116' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' C' ' 118' ' ' SER . 11.7 tptt -135.51 -15.53 1.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.701 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -67.5 65.42 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.388 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 118' ' ' SER . . . . . 0.443 ' N ' ' O ' ' C' ' 116' ' ' LYS . 75.3 m -62.8 -41.23 99.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.668 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 119' ' ' LEU . . . . . 0.441 HD12 ' N ' ' C' ' 121' ' ' LEU . 2.0 pp -68.57 -28.2 66.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.482 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 120' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' C' ' 122' ' ' ARG . 65.8 t0 55.42 76.65 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.634 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 121' ' ' LEU . . . . . 0.441 ' N ' HD12 ' C' ' 119' ' ' LEU . 3.4 mp 60.79 -80.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.522 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 122' ' ' ARG . . . . . 0.491 ' O ' ' HB3' ' C' ' 123' ' ' ALA . 3.7 tpt180 46.84 -119.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.481 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 123' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' C' ' 122' ' ' ARG . . . 69.7 69.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.036 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -128.46 118.24 22.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.632 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 93.6 mt 42.58 80.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.73 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.121 -0.943 . . . . 0.0 110.497 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 60.5 m170 53.7 49.07 20.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.624 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -56.22 131.11 46.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.449 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -165.07 -81.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.438 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -157.1 106.84 2.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.276 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' -8' ' ' HIS . . . . . 0.555 ' ND1' ' O ' ' C' ' -8' ' ' HIS . 58.9 t-80 41.24 33.66 0.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.553 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . 121.99 -166.38 14.69 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . -87.96 -86.02 1.18 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' -5' ' ' LEU . . . . . 0.521 ' N ' HD12 ' C' ' -5' ' ' LEU . 10.9 mp -70.72 139.03 51.04 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' -4' ' ' VAL . . . . . 0.495 ' O ' HG13 ' C' ' -4' ' ' VAL . 10.7 p -120.75 128.31 25.84 Favored Pre-proline 0 CA--C 1.54 0.575 0 O-C-N 123.47 0.481 . . . . 0.0 110.5 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -51.13 140.4 40.97 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.525 2.15 . . . . 0.0 112.075 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 68.39 14.78 9.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.49 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' -1' ' ' GLY . . . . . 0.525 ' C ' ' H ' ' C' ' 1' ' ' MET . . . -100.45 47.1 1.28 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.54 27.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 110.612 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.578 ' SD ' HD12 ' C' ' 4' ' ' ILE . 23.5 mmt -64.79 -20.24 66.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.22 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 2' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' C' ' 3' ' ' ASP . 45.2 p-10 -53.66 -34.51 58.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.701 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 3' ' ' ASP . . . . . 0.541 ' N ' ' OD1' ' C' ' 2' ' ' ASP . 34.4 t70 -63.7 -41.42 98.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.024 0.44 . . . . 0.0 110.392 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 4' ' ' ILE . . . . . 0.578 HD12 ' SD ' ' C' ' 1' ' ' MET . 92.4 mt -63.94 -41.74 93.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.654 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -56.25 -48.45 76.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.795 -179.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -64.91 -41.54 95.49 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.904 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.54 -40.5 94.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.492 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.98 94.8 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.293 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.463 ' O ' ' O ' ' C' ' 12' ' ' LEU . 54.0 t -63.45 -38.53 82.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.05 0.453 . . . . 0.0 110.906 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -59.46 -40.23 86.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.731 -179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.37 -40.08 11.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.773 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' C' ' 9' ' ' VAL . 69.2 mt -93.77 140.51 29.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.531 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 65.9 p -90.53 177.66 6.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.688 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -61.52 -36.0 79.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.239 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -59.6 -42.59 92.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.801 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -64.11 -40.41 96.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.935 0.398 . . . . 0.0 110.543 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -61.8 -43.37 98.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.287 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -62.26 -45.54 92.82 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.568 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -62.2 -42.48 99.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.525 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.679 ' CE2' HD21 ' C' ' 78' ' ' LEU . 0.0 OUTLIER -56.42 -50.54 71.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.569 -179.696 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -63.08 -45.96 89.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.777 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.81 97.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.41 98.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.941 0.4 . . . . 0.0 110.71 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' PHE . . . . . 0.819 ' O ' HG23 ' C' ' 28' ' ' VAL . 83.9 t80 -58.68 -44.42 90.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.249 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -58.65 -41.31 85.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.38 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 1.5 mp -71.43 -39.54 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.403 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.25 -18.72 64.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.819 HG23 ' O ' ' C' ' 24' ' ' PHE . 53.6 t -71.67 -23.69 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.674 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 29' ' ' LEU . . . . . 0.456 ' N ' HD22 ' C' ' 29' ' ' LEU . 4.3 mm? -60.98 134.41 57.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.881 0.372 . . . . 0.0 110.733 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.37 -5.4 84.77 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' ALA . . . . . 0.594 ' HB2' ' OE2' ' C' ' 40' ' ' GLU . . . -117.06 101.81 8.79 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.779 0.323 . . . . 0.0 110.471 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -64.85 -41.06 96.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.469 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -64.85 -23.42 67.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.393 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.44 -0.88 83.69 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 97.4 p -105.41 166.4 10.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.734 0.302 . . . . 0.0 110.684 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 67.3 mt -92.81 121.42 43.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 16.7 m -117.46 -171.83 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.664 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' THR . . . . . 0.492 ' O ' HD13 ' C' ' 57' ' ' LEU . 74.9 p -64.52 -38.65 91.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.53 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -64.95 -39.85 94.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.757 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.594 ' OE2' ' HB2' ' C' ' 31' ' ' ALA . 76.5 mm-40 -61.94 -42.91 99.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.801 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 3.0 mt -63.79 -33.74 76.35 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.196 0.522 . . . . 0.0 110.898 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.37 -29.74 63.74 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -59.54 -42.84 93.26 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.373 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 66.8 t -63.21 -47.81 90.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.87 0.367 . . . . 0.0 110.482 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 6.2 mtm -67.65 -39.29 84.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.579 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 79.9 mtt-85 -61.46 -44.66 96.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.719 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 53.3 ttp -63.14 -39.74 95.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.444 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 tp -59.03 -26.38 64.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.336 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.43 33.46 4.82 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.289 -0.725 . . . . 0.0 111.289 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -113.63 179.45 3.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.648 0.261 . . . . 0.0 110.694 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.12 80.89 57.87 Favored Pre-proline 0 CA--C 1.531 0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.98 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -72.19 154.37 56.87 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 122.838 2.359 . . . . 0.0 112.239 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 28.4 p -123.58 150.6 61.79 Favored Pre-proline 0 N--CA 1.448 -0.542 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.782 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -49.14 -44.99 31.33 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 122.298 1.999 . . . . 0.0 112.259 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -63.69 -43.56 96.28 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.982 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -64.77 -41.89 95.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.97 0.414 . . . . 0.0 110.915 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 57' ' ' LEU . . . . . 0.492 HD13 ' O ' ' C' ' 38' ' ' THR . 96.7 mt -65.98 -38.93 89.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.758 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -60.88 -42.62 98.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.547 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -65.7 -41.72 92.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.593 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 28.4 ttt -62.28 -42.0 98.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.243 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 mm -59.68 -43.83 92.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.79 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.46 -41.75 90.42 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.434 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -72.52 -43.29 63.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.919 0.39 . . . . 0.0 110.525 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 64' ' ' VAL . . . . . 0.46 HG12 ' SD ' ' C' ' 80' ' ' MET . 53.6 t -66.44 -39.93 85.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.058 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 58.8 t0 -50.47 146.95 4.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.451 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 66' ' ' GLU . . . . . 0.537 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 12.7 mm-40 -91.41 -43.37 9.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.988 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -102.22 -2.04 30.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.664 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.33 20.65 69.66 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 69' ' ' SER . . . . . 0.491 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 84.2 p -73.02 -12.34 60.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.736 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.47 -19.33 51.16 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 77.5 p -137.52 160.95 37.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.666 0.269 . . . . 0.0 110.437 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 72' ' ' VAL . . . . . 0.615 HG23 ' O ' ' C' ' 72' ' ' VAL . 33.5 m -120.95 112.66 36.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.396 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -75.45 178.0 6.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.722 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -58.58 -49.34 77.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.662 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -66.22 -41.31 90.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.494 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.77 -39.23 90.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.708 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -59.88 -46.68 88.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.381 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 78' ' ' LEU . . . . . 0.679 HD21 ' CE2' ' C' ' 20' ' ' PHE . 12.9 mt -60.99 -47.02 88.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 0.0 111.096 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.48 -41.86 94.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.479 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 80' ' ' MET . . . . . 0.46 ' SD ' HG12 ' C' ' 64' ' ' VAL . 66.7 ttp -59.33 -44.09 92.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.47 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 2.2 tpt -60.6 -42.71 97.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.959 0.409 . . . . 0.0 110.181 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 78.6 t -65.34 -41.2 90.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.623 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -59.49 -41.26 89.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.458 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -42.82 95.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.809 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -62.31 -43.94 97.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.064 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -64.52 -43.53 93.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.665 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -60.85 -46.46 90.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.695 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 74.9 m -68.11 -41.91 81.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -62.33 -41.82 98.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.408 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 91' ' ' ASN . . . . . . . . . . . . . 59.5 t30 54.9 54.42 9.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.876 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 92' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' C' ' 93' ' ' TYR . 77.7 mt -59.39 134.12 56.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.457 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 93' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' C' ' 92' ' ' LEU . 78.2 m-85 35.45 -131.46 0.08 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.673 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -96.38 5.05 51.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.618 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.36 112.92 19.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.949 0.404 . . . . 0.0 110.373 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 96' ' ' GLY . . . . . 0.56 ' O ' ' N ' ' C' ' 98' ' ' ARG . . . 99.82 -23.17 37.11 Favored Glycine 0 C--O 1.228 -0.252 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 97' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' C' ' 96' ' ' GLY . 0.2 OUTLIER 32.85 -88.35 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.814 0.361 . . . . 0.0 110.99 179.561 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 98' ' ' ARG . . . . . 0.56 ' N ' ' O ' ' C' ' 96' ' ' GLY . 8.0 ptm180 -131.91 160.18 36.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.625 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 14.2 p -74.09 144.03 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.812 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -96.61 -59.92 1.72 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.744 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 79.0 mt -118.27 124.67 73.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.407 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 44.3 m -93.11 143.9 25.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.861 0.362 . . . . 0.0 110.438 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.04 -35.05 75.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.354 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -58.84 -36.94 75.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.263 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.3 93.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.613 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 2.6 mmm -63.97 -40.31 96.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.521 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 13.1 ttm -60.99 -49.04 79.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.843 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -61.04 -41.98 97.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.688 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.63 -43.79 92.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.935 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 85.7 mt -68.05 -44.26 76.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.203 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -75.06 -49.29 20.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.869 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 112' ' ' GLY . . . . . 0.617 ' O ' ' HB3' ' C' ' 113' ' ' ALA . . . 55.26 -124.25 32.41 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 113' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' C' ' 112' ' ' GLY . . . 76.36 160.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.721 0.296 . . . . 0.0 110.587 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -92.74 -3.22 55.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.002 0.43 . . . . 0.0 110.14 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.62 163.49 34.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.735 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 116' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' C' ' 118' ' ' SER . 64.3 pttt -138.63 149.47 45.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.552 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 47.63 14.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.666 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 118' ' ' SER . . . . . 0.45 ' N ' ' O ' ' C' ' 116' ' ' LYS . 87.8 p -86.18 -9.18 57.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.651 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.63 10.71 17.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -66.55 123.55 20.37 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.474 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 2.3 tp -128.26 -35.02 2.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.49 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 10.1 mmt-85 -102.62 104.79 15.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.769 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -157.17 165.74 35.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.8 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -47.76 139.51 7.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.427 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 89.6 mt -75.52 148.67 38.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.697 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 21.7 pttp . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.761 -179.93 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' -12' ' ' HIS . . . . . 0.462 ' O ' ' O ' ' C' ' -11' ' ' HIS . 56.5 t-80 -143.02 98.85 3.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.599 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' -11' ' ' HIS . . . . . 0.462 ' O ' ' O ' ' C' ' -12' ' ' HIS . 11.8 m80 45.78 102.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.977 0.417 . . . . 0.0 111.106 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -60.92 -40.26 92.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.375 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -160.45 163.68 32.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -96.75 116.64 29.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.186 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -166.65 -119.72 0.49 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . 71.09 40.06 62.32 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' -5' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' C' ' -4' ' ' VAL . 86.5 mt -60.17 -41.59 93.15 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.88 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' -4' ' ' VAL . . . . . 0.591 ' O ' HG12 ' C' ' -4' ' ' VAL . 96.1 t 34.46 67.36 1.29 Allowed Pre-proline 0 N--CA 1.455 -0.209 0 O-C-N 123.525 0.516 . . . . 0.0 110.77 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -75.76 47.83 2.03 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.48 2.12 . . . . 0.0 112.145 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -154.94 134.97 13.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.556 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . -105.68 110.4 3.42 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.42 140.31 2.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.783 0.325 . . . . 0.0 110.474 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 98.4 mtp -66.24 -19.26 65.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.482 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.66 -30.92 69.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.83 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -60.77 -34.68 74.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.064 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 94.0 mt -59.78 -46.89 93.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.256 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -67.1 -37.07 83.29 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.505 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -60.37 -43.7 96.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.209 0.528 . . . . 0.0 110.491 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.11 -37.85 81.62 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.728 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.6 -46.08 90.0 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -74.11 -34.97 39.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.963 0.411 . . . . 0.0 110.606 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -63.67 -40.03 95.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.574 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' GLN . . . . . 0.433 ' O ' ' O ' ' C' ' 12' ' ' LEU . 83.9 mt-30 -98.64 19.39 14.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.838 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' C' ' 11' ' ' GLN . 2.3 pp -34.15 153.15 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 O-C-N 123.598 0.561 . . . . 0.0 110.433 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.3 p -115.75 165.51 12.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.469 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -61.01 -39.65 90.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.381 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' GLU . . . . . 0.438 ' O ' ' OE1' ' C' ' 19' ' ' GLU . 53.7 tp10 -61.29 -43.34 99.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.18 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -60.31 -40.5 90.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.007 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -63.53 -36.69 84.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -58.51 -47.52 83.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.09 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' GLU . . . . . 0.438 ' OE1' ' O ' ' C' ' 15' ' ' GLU . 7.6 mp0 -67.21 -38.58 85.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.627 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -59.59 -48.59 81.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.925 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -61.5 -40.8 95.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.687 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.04 -41.05 99.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.627 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.58 92.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.414 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.4 -37.45 80.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.172 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.75 -41.64 97.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.507 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 38.1 pt -77.71 -28.17 15.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.811 0.338 . . . . 0.0 111.17 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.5 -45.07 76.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.599 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 35.1 m -73.12 -4.12 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.954 0.407 . . . . 0.0 110.676 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' LEU . . . . . 0.474 HD23 ' N ' ' C' ' 30' ' ' GLY . 1.7 tt -69.09 110.06 4.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.478 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 30' ' ' GLY . . . . . 0.474 ' N ' HD23 ' C' ' 29' ' ' LEU . . . 77.69 18.83 76.84 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.55 115.31 27.22 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.667 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -68.81 -41.51 78.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -67.68 -30.06 69.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.768 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.33 4.28 88.96 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.53 -178.85 5.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.657 0.265 . . . . 0.0 110.384 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 31.2 mm -75.47 121.15 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 110.173 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 5.5 t -148.65 -165.08 2.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.611 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' THR . . . . . 0.402 HG22 HG13 ' C' ' 61' ' ' ILE . 68.4 p -67.34 -37.1 82.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.515 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 67.2 tttm -63.54 -42.71 98.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.591 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -60.97 -44.83 96.79 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.07 0.462 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tt -65.23 -41.61 94.2 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.055 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.26 -38.89 96.95 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -58.57 -44.1 89.63 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.73 -43.96 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.581 0.705 . . . . 0.0 110.134 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 45' ' ' MET . . . . . 0.651 ' SD ' ' NE2' ' C' ' 50' ' ' GLN . 25.6 mmt -66.77 -39.88 88.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -61.8 -45.23 94.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.669 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 6.2 ptt? -71.28 -22.47 61.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.095 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.65 -3.73 39.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.616 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.84 12.15 66.81 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 50' ' ' GLN . . . . . 0.651 ' NE2' ' SD ' ' C' ' 45' ' ' MET . 31.2 mt-30 -102.1 152.2 21.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.735 0.302 . . . . 0.0 110.418 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -136.17 65.62 58.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.267 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -72.76 153.72 53.78 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.753 2.302 . . . . 0.0 112.651 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 1.4 p -67.89 154.83 93.0 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.603 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 54' ' ' PRO . . . . . 0.489 ' HA ' HD12 ' C' ' 57' ' ' LEU . 19.1 Cg_endo -60.26 -31.27 92.76 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.423 2.082 . . . . 0.0 112.054 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 55' ' ' GLU . . . . . 0.41 ' CG ' ' N ' ' C' ' 56' ' ' GLU . 8.9 pt-20 -67.02 -38.62 86.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.942 0.401 . . . . 0.0 110.202 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 56' ' ' GLU . . . . . 0.41 ' N ' ' CG ' ' C' ' 55' ' ' GLU . 99.2 mt-10 -67.14 -37.7 84.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.434 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 57' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' C' ' 54' ' ' PRO . 84.0 mt -60.92 -42.87 98.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.348 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -67.04 -41.21 86.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.801 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.1 -41.6 96.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.416 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 49.0 tpp -63.26 -41.16 99.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.1 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 61' ' ' ILE . . . . . 0.402 HG13 HG22 ' C' ' 38' ' ' THR . 4.1 mm -60.59 -46.21 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.815 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -61.18 -43.7 98.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.83 0.348 . . . . 0.0 110.525 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -65.91 -45.19 82.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 64' ' ' VAL . . . . . 0.434 ' CG1' ' SD ' ' C' ' 80' ' ' MET . 73.3 t -65.14 -39.72 86.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.722 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 52.3 t0 -53.69 139.96 30.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.755 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 66' ' ' GLU . . . . . 0.535 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 22.5 tp10 -88.03 -42.81 12.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.989 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -101.66 -1.61 32.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.675 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 68' ' ' GLY . . . . . 0.406 ' H ' ' CG ' ' C' ' 65' ' ' ASP . . . 67.75 23.22 74.01 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 69' ' ' SER . . . . . 0.531 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 99.9 p -73.44 -10.51 59.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.817 0.341 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.33 -8.56 75.14 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 69.5 p -135.26 164.04 28.61 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.55 0.214 . . . . 0.0 110.483 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 28.7 t -112.5 116.37 52.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.14 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 73' ' ' ASP . . . . . 0.523 ' CG ' ' N ' ' C' ' 74' ' ' PHE . 1.0 OUTLIER -73.5 166.64 22.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.356 179.563 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 74' ' ' PHE . . . . . 0.523 ' N ' ' CG ' ' C' ' 73' ' ' ASP . 16.8 m-85 -56.68 -46.99 80.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.542 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -66.24 -41.16 90.41 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.042 0.448 . . . . 0.0 110.468 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -62.72 -39.91 95.53 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.536 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -64.55 -40.47 95.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.326 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.3 -51.93 65.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.735 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 33.4 m -71.9 -27.7 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.984 0.421 . . . . 0.0 110.723 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 80' ' ' MET . . . . . 0.434 ' SD ' ' CG1' ' C' ' 64' ' ' VAL . 50.5 ttp -60.73 -43.87 97.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.767 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 25.1 ttt -61.1 -42.74 99.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.01 0.433 . . . . 0.0 110.654 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 82' ' ' VAL . . . . . 0.522 ' O ' ' SD ' ' C' ' 85' ' ' MET . 99.2 t -70.41 -35.9 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.464 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 83' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' C' ' 85' ' ' MET . 39.1 ttm180 -58.71 -42.02 87.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.19 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 84' ' ' 4J4 . . . . . 0.486 ' C ' ' O ' ' C' ' 83' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 85' ' ' MET . . . . . 0.626 ' N ' ' SD ' ' C' ' 85' ' ' MET . 0.3 OUTLIER -59.34 -36.16 75.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.321 -179.823 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -60.3 -39.11 85.79 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.117 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -63.27 -41.63 99.04 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.932 0.396 . . . . 0.0 110.193 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.3 -41.77 98.98 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.772 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 90.2 p -67.88 -35.5 78.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.477 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.31 -38.21 86.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.144 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 91' ' ' ASN . . . . . 0.433 ' OD1' ' CD2' ' C' ' 94' ' ' PHE . 8.7 t-20 64.03 64.88 0.72 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.193 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 7.7 tp -57.88 -40.62 80.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.271 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -117.47 135.84 53.63 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.34 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 94' ' ' PHE . . . . . 0.433 ' CD2' ' OD1' ' C' ' 91' ' ' ASN . 0.4 OUTLIER -111.68 2.05 17.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.759 179.785 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -87.93 -39.89 14.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -98.93 12.12 62.41 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 54.96 -110.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.327 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 48.5 mtt-85 -64.97 162.21 17.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.793 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 67.1 t -79.81 96.99 2.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.968 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 39.74 -98.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.771 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 tp -111.77 135.61 50.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.49 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 64.6 m -67.86 149.04 50.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.499 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.61 -39.57 88.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.636 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.1 -39.68 90.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.42 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.76 95.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.764 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 60.1 mtp -61.97 -44.53 96.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.803 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 76.9 mtm -64.66 -40.03 94.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.457 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 108' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' C' ' 112' ' ' GLY . 11.9 tp-100 -62.51 -42.38 99.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.608 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.69 94.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.49 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 6.0 mp -66.28 -42.57 88.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 98.6 mt -93.42 3.56 55.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.653 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 112' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . -52.06 -76.1 0.19 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -133.06 -117.67 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.691 0.281 . . . . 0.0 110.487 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 71.1 -53.77 0.67 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.466 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -164.43 142.7 6.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.688 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -68.0 -26.66 66.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.454 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -93.62 23.66 4.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.705 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 70.4 m -57.94 -25.52 61.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.336 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.22 -38.93 88.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.378 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 4.7 t0 74.68 148.25 0.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.588 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 2.4 tp 69.5 171.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.576 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -99.8 122.86 43.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.405 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.45 143.77 42.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.826 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -89.65 -0.97 57.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.888 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 23.5 mt -129.11 152.31 48.84 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.975 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 22.6 tptt . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.4 -179.859 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 73.8 m80 53.27 -118.63 1.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.469 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -130.28 139.79 50.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.619 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -156.87 161.35 39.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.35 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -108.36 149.55 28.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.801 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -64.62 -38.9 92.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.597 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . 60.08 -128.93 47.15 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . -66.63 142.25 41.86 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' -5' ' ' LEU . . . . . 0.439 HD12 ' N ' ' C' ' -5' ' ' LEU . 9.5 mp -69.02 -34.53 75.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.583 0.23 . . . . 0.0 110.61 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 60.5 t -93.03 112.34 55.63 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.507 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -49.57 112.52 0.7 Allowed 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 122.474 2.116 . . . . 0.0 112.226 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -174.39 88.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.461 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . -111.44 -162.62 17.39 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.77 110.06 22.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.675 0.274 . . . . 0.0 110.52 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.413 ' O ' HG22 ' C' ' 4' ' ' ILE . 72.4 mtm -88.32 117.92 27.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.032 0.444 . . . . 0.0 110.474 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 2' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' C' ' 2' ' ' ASP . 64.1 t0 -61.23 -34.7 75.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.493 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -55.66 -36.47 67.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.418 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' ILE . . . . . 0.539 ' HA ' ' HB3' ' C' ' 7' ' ' ALA . 1.9 tp -49.44 -22.24 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.37 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -61.59 -46.89 87.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.382 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -96.9 -24.16 15.99 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.011 0.434 . . . . 0.0 110.637 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' ALA . . . . . 0.539 ' HB3' ' HA ' ' C' ' 4' ' ' ILE . . . -60.45 -37.96 82.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.472 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.99 -44.79 87.39 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.877 0.37 . . . . 0.0 110.576 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 76.7 t -70.09 -38.3 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.099 0.476 . . . . 0.0 110.461 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -55.86 -32.29 63.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.759 -179.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -66.34 -15.8 63.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.666 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 50.1 mt -103.66 137.34 41.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.834 0.35 . . . . 0.0 110.468 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 44.1 p -95.11 168.41 10.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.584 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -62.27 -39.8 94.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.362 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -63.61 -40.02 95.86 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.227 0.537 . . . . 0.0 110.411 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -62.98 -41.29 99.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.509 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.55 -39.27 93.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -60.12 -40.89 91.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.342 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -63.08 -43.67 97.9 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 121.415 0.626 . . . . 0.0 110.639 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.68 -22.56 64.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.756 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -52.46 -25.53 10.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.497 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.97 80.58 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.394 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.79 95.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.965 0.412 . . . . 0.0 110.581 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' PHE . . . . . 0.514 ' O ' HG23 ' C' ' 28' ' ' VAL . 83.9 t80 -59.23 -46.84 87.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.513 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -59.65 -42.4 92.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.78 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 91.8 mt -60.13 -45.29 96.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.555 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -66.39 -34.82 78.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.608 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.514 HG23 ' O ' ' C' ' 24' ' ' PHE . 66.3 t -70.87 -24.57 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.46 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.9 124.04 19.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.559 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.83 -3.49 81.11 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.09 118.79 29.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.601 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.19 -41.25 99.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.479 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.31 -26.21 67.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.534 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.75 -4.04 86.56 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.836 -0.905 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 65.6 m -140.78 161.73 37.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.66 0.267 . . . . 0.0 110.67 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.89 119.97 9.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.069 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 5.6 t -138.6 -158.17 0.83 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.613 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 72.9 p -61.37 -36.82 81.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.509 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -63.15 -50.76 69.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.104 0.478 . . . . 0.0 110.722 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -69.99 -40.91 75.02 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.315 0.579 . . . . 0.0 110.531 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 51.8 tp -63.63 -39.68 94.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.731 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.01 -41.58 99.49 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.326 -1.11 . . . . 0.0 110.326 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -59.98 -42.06 93.37 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.697 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 68.7 t -62.96 -42.86 98.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.261 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 14.0 mmt -62.15 -41.78 98.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.955 0.407 . . . . 0.0 110.378 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -62.63 -38.03 88.64 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.498 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 45.8 mtp -62.24 -38.74 90.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.295 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 94.8 mt -75.51 -10.79 59.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.603 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.41 5.32 59.17 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -101.54 141.45 34.39 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -131.58 74.97 77.46 Favored Pre-proline 0 C--O 1.233 0.21 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.977 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -63.16 149.64 90.85 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 123.184 2.589 . . . . 0.0 112.121 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 21.8 p -70.24 152.88 95.56 Favored Pre-proline 0 N--CA 1.449 -0.505 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.761 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -46.86 -40.69 25.3 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 122.316 2.01 . . . . 0.0 112.335 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -67.11 -32.18 73.15 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-O 121.236 0.541 . . . . 0.0 110.288 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -74.13 -35.47 64.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.73 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.73 -47.06 86.97 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.35 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -71.95 -39.52 69.33 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.777 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -63.19 -40.03 96.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.558 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 17.2 tpt -64.05 -41.18 97.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.281 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 4.4 mm -60.6 -44.05 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.758 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -60.0 -45.03 94.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.343 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.65 -45.52 92.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.36 -39.98 87.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.843 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' C' ' 71' ' ' THR . 1.2 m-20 -62.38 113.11 2.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.686 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -88.9 -18.16 28.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.674 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -109.58 -1.29 18.27 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.72 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.87 17.56 73.49 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 91.5 p -63.4 -21.32 66.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.772 0.32 . . . . 0.0 110.563 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.46 4.39 89.34 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 71' ' ' THR . . . . . 0.418 ' O ' ' OD1' ' C' ' 65' ' ' ASP . 81.2 p -130.03 164.71 23.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.791 0.329 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 47.5 t -98.5 107.34 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.609 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.79 163.59 22.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.517 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -59.45 -48.38 81.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.397 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.34 -42.92 99.47 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.625 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -64.61 -39.95 94.63 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.031 0.444 . . . . 0.0 110.449 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -46.01 90.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.696 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 2.2 tp -64.83 -40.29 94.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.112 0.482 . . . . 0.0 110.294 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.05 -38.47 80.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.828 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 3.2 mmm -53.11 -34.41 56.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.792 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.34 -39.64 93.75 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.839 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 85.9 t -82.84 -28.81 8.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.705 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 -84.92 -6.34 59.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.662 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 85' ' ' MET . . . . . 0.549 ' SD ' ' N ' ' C' ' 85' ' ' MET . 4.1 mmt -66.49 -19.31 65.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.73 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -30.72 61.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.551 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -61.38 -21.87 64.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.893 0.377 . . . . 0.0 110.593 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 88' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' C' ' 92' ' ' LEU . 54.3 t0 -65.94 -31.39 72.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.452 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 75.4 m -60.16 -47.57 85.37 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.895 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -67.56 -39.5 84.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.357 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 91' ' ' ASN . . . . . 0.455 ' O ' ' O ' ' C' ' 92' ' ' LEU . 54.9 t-20 -87.08 71.25 10.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.639 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 92' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' C' ' 91' ' ' ASN . 26.5 mt 56.07 155.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.014 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 93' ' ' TYR . . . . . 0.519 ' O ' ' CG ' ' C' ' 93' ' ' TYR . 0.8 OUTLIER -96.59 129.13 44.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.086 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -167.32 -23.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.682 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 57.72 36.08 26.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.392 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -86.13 -177.7 49.89 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -101.91 130.46 48.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.593 0.235 . . . . 0.0 110.571 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -118.64 9.01 12.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.738 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 3.2 p -148.62 135.39 13.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.654 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -111.97 -5.75 14.29 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.566 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 2.3 mp -93.92 114.92 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.198 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 85.9 p -71.33 151.56 44.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.124 0.488 . . . . 0.0 110.797 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.11 -38.66 91.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.423 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -58.34 -45.58 87.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.589 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.03 -42.96 99.46 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.38 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 4.9 tpt -67.41 -40.98 85.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.415 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 28.8 mmm -61.97 -42.68 99.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.587 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.08 -42.74 88.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.881 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.15 97.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.24 -41.2 90.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.56 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -75.28 -35.93 61.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 112' ' ' GLY . . . . . 0.525 ' O ' ' N ' ' C' ' 114' ' ' ARG . . . -59.42 -51.59 58.2 Favored Glycine 0 C--O 1.227 -0.322 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 113' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' C' ' 112' ' ' GLY . . . 30.42 36.65 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.894 0.378 . . . . 0.0 110.653 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 114' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' C' ' 112' ' ' GLY . 2.1 mtp180 53.22 48.97 20.92 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.495 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 115' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' C' ' 112' ' ' GLY . . . -63.74 146.08 54.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.817 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -62.77 -71.81 0.15 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.759 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 43.78 33.58 0.74 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.59 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 68.3 m -62.64 -44.79 95.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.963 0.411 . . . . 0.0 110.502 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 9.2 tp -71.26 -39.84 71.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.324 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 12.7 t0 56.01 -148.56 0.48 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.452 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 19.5 tp -104.1 123.17 46.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.325 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -99.13 123.59 43.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.75 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.0 89.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.34 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 124' ' ' HIS . . . . . 0.416 ' O ' ' O ' ' C' ' 125' ' ' LEU . 60.1 m170 -94.57 131.44 40.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.413 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 125' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' C' ' 124' ' ' HIS . 2.2 mp 57.34 156.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 24.3 pttm . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.885 -179.839 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 32.1 p80 . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -62.72 -39.45 94.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.537 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -105.44 -179.39 3.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.337 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -60.27 -45.44 93.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.462 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -107.48 174.65 5.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.464 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -60.55 -38.94 86.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.394 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . 115.31 -166.24 12.19 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . -58.61 -100.26 0.01 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 30.1 mt 43.84 -166.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 111.065 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' -4' ' ' VAL . . . . . 0.459 ' O ' HG13 ' C' ' -4' ' ' VAL . 8.6 p -48.37 130.29 13.17 Favored Pre-proline 0 N--CA 1.446 -0.636 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.469 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -73.41 162.19 40.77 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.48 2.12 . . . . 0.0 112.527 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 56.62 -169.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.443 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . -165.04 -101.06 0.15 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 39.7 t -158.76 8.02 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.973 0.416 . . . . 0.0 110.634 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ttm -59.08 -41.86 89.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.461 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -58.55 -38.34 77.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.422 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -60.52 -41.66 94.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.432 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 27.2 mt -62.38 -42.48 95.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -65.9 -44.23 85.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.039 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -62.32 -44.39 96.6 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.114 0.483 . . . . 0.0 110.59 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.5 -39.55 88.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.376 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' C' ' 12' ' ' LEU . . . -61.0 -47.57 85.86 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.363 -179.035 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 26.0 m -73.67 -35.91 45.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.727 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -67.47 -40.76 85.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -92.77 -38.4 11.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.019 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' C' ' 8' ' ' ALA . 11.3 mt -112.61 162.66 15.43 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.061 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 65.8 p -117.58 179.95 3.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.569 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -58.26 -31.93 67.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.202 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -59.49 -43.59 93.29 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.431 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 -66.14 -39.69 90.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.923 0.392 . . . . 0.0 110.598 178.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 tmtp? -58.12 -48.34 80.5 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.024 0.44 . . . . 0.0 110.476 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.56 -39.75 94.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.713 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -62.1 -39.71 93.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.165 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -61.37 -41.82 97.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.242 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -62.64 -42.32 99.53 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.218 0.532 . . . . 0.0 110.336 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.05 96.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.478 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.96 -38.58 86.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.274 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' PHE . . . . . 0.423 ' CD2' ' CE2' ' C' ' 74' ' ' PHE . 85.1 t80 -58.48 -48.73 79.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.508 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -59.91 -41.97 92.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.244 0.545 . . . . 0.0 110.382 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 87.5 mt -71.4 -40.61 73.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.063 0.459 . . . . 0.0 110.648 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -67.7 -42.5 81.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.157 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 p -73.88 -22.38 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.329 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.77 129.87 43.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.453 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.8 -2.14 76.03 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' ALA . . . . . 0.514 ' HB2' ' OE2' ' C' ' 40' ' ' GLU . . . -98.54 106.32 18.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.878 0.37 . . . . 0.0 110.36 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.31 -24.5 65.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.698 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.69 -24.27 67.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.53 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.24 7.18 83.4 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 98.2 p -148.02 161.43 41.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.328 . . . . 0.0 110.55 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 97.0 mt -70.92 130.08 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.475 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' SER . . . . . 0.414 ' N ' ' OE1' ' C' ' 40' ' ' GLU . 74.3 p -141.58 -168.17 2.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.769 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 93.5 m -59.57 -37.01 77.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.411 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -57.91 -43.07 85.98 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.489 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.514 ' OE2' ' HB2' ' C' ' 31' ' ' ALA . 22.6 mp0 -64.08 -43.89 94.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.97 0.414 . . . . 0.0 110.804 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 tp -62.98 -44.06 97.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.043 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.74 -37.75 95.16 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -56.85 -48.74 77.36 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.646 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.29 -44.22 98.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.094 0.473 . . . . 0.0 110.235 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 25.1 mmt -63.33 -38.14 89.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.398 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -58.64 -42.86 89.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.893 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -63.12 -37.8 88.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.259 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.18 -7.69 9.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.385 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.2 3.01 70.24 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -105.99 136.82 44.98 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.363 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 51' ' ' ASN . . . . . 0.424 ' N ' ' OD1' ' C' ' 51' ' ' ASN . 14.0 p-10 -133.1 64.89 72.13 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.71 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -71.93 161.19 45.63 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.79 2.327 . . . . 0.0 111.985 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 64.2 p -60.43 141.76 91.26 Favored Pre-proline 0 C--N 1.326 -0.439 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.057 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.11 -18.23 30.96 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 122.675 2.25 . . . . 0.0 112.383 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -59.1 -46.39 88.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.123 -178.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 56' ' ' GLU . . . . . 0.407 ' HG2' ' H ' ' C' ' 56' ' ' GLU . 3.0 pt-20 -72.02 -37.18 69.81 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.76 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.64 -41.4 88.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.892 0.377 . . . . 0.0 110.704 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -64.17 -39.98 95.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.537 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.98 -41.83 97.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.167 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 60' ' ' MET . . . . . 0.73 ' O ' HG23 ' C' ' 64' ' ' VAL . 3.9 mmt -62.21 -42.2 99.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.543 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 23.8 mm -61.86 -44.95 99.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.663 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.29 -47.93 83.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.536 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -66.3 -40.94 90.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.324 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 64' ' ' VAL . . . . . 0.73 HG23 ' O ' ' C' ' 60' ' ' MET . 79.2 t -64.24 -39.54 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.582 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.538 ' OD2' ' N ' ' C' ' 69' ' ' SER . 63.8 t0 -54.43 130.53 39.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.701 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 66' ' ' GLU . . . . . 0.45 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 20.0 mp0 -68.39 -41.16 80.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.564 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 67' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 13.3 p30 -93.38 -1.17 56.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.305 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.57 23.15 70.29 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 69' ' ' SER . . . . . 0.538 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 50.1 m -66.79 -21.85 66.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.777 0.322 . . . . 0.0 110.479 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.81 -5.26 72.82 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 80.6 p -128.78 157.46 41.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.701 0.286 . . . . 0.0 110.423 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -104.51 110.86 31.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.215 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -83.94 176.44 8.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.586 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 74' ' ' PHE . . . . . 0.423 ' CE2' ' CD2' ' C' ' 24' ' ' PHE . 0.8 OUTLIER -57.15 -49.05 77.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.374 -179.333 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.07 -44.46 92.32 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.687 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -61.23 -39.84 91.78 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.377 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -60.81 -45.38 94.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 78' ' ' LEU . . . . . 0.686 ' O ' HG23 ' C' ' 82' ' ' VAL . 27.6 tp -59.83 -50.42 73.88 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.97 -178.16 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 79' ' ' VAL . . . . . 0.436 HG23 ' N ' ' C' ' 80' ' ' MET . 34.5 m -72.6 -38.3 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.621 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 80' ' ' MET . . . . . 0.436 ' N ' HG23 ' C' ' 79' ' ' VAL . 1.7 tmm? -61.75 -46.89 87.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 23.6 ttt -63.88 -39.32 93.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.398 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 82' ' ' VAL . . . . . 0.686 HG23 ' O ' ' C' ' 78' ' ' LEU . 64.7 t -60.9 -46.18 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.808 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -63.01 -40.03 96.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.508 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 84' ' ' 4J4 . . . . . 0.466 ' OAF' ' CAR' ' C' ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.6 mmm -62.16 -40.08 94.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.587 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.13 -44.69 96.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.275 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -67.19 -43.62 81.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.554 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -61.74 -40.81 96.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.458 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 71.3 m -61.29 -41.92 97.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.807 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 90' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' C' ' 91' ' ' ASN . 5.8 tp10 -62.5 -40.75 97.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.22 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 91' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' C' ' 93' ' ' TYR . 15.0 t-20 43.33 94.71 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.691 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 92' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' C' ' 94' ' ' PHE . 1.1 mm? -51.71 92.9 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.449 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 93' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' C' ' 91' ' ' ASN . 1.0 OUTLIER 43.01 -89.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.614 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 94' ' ' PHE . . . . . 0.535 ' N ' ' O ' ' C' ' 92' ' ' LEU . 19.3 p90 -132.5 -17.82 2.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.411 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -58.69 -12.71 4.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.909 0.385 . . . . 0.0 110.586 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -103.52 22.48 35.79 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -80.85 40.86 0.54 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.81 0.338 . . . . 0.0 110.575 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -67.38 -40.28 85.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.014 0.435 . . . . 0.0 110.602 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 99' ' ' VAL . . . . . 0.532 HG23 ' N ' ' C' ' 100' ' ' ARG . 29.6 m -129.14 -47.92 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.775 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 100' ' ' ARG . . . . . 0.532 ' N ' HG23 ' C' ' 99' ' ' VAL . 21.3 ttp85 62.2 35.62 15.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.528 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 5.1 mm -123.43 130.51 74.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 102' ' ' SER . . . . . 0.585 ' HG ' ' CG ' ' C' ' 104' ' ' ASP . 45.4 t -70.55 144.2 51.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.777 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.88 94.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.535 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 104' ' ' ASP . . . . . 0.585 ' CG ' ' HG ' ' C' ' 102' ' ' SER . 6.7 p30 -61.08 -40.01 92.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.778 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 105' ' ' ALA . . . . . 0.578 ' N ' ' OD1' ' C' ' 104' ' ' ASP . . . -62.04 -40.82 97.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.303 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 31.1 ttm -59.88 -46.23 89.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.727 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -62.63 -43.86 97.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.719 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 108' ' ' GLN . . . . . 0.556 ' O ' ' N ' ' C' ' 112' ' ' GLY . 91.4 mt-30 -64.0 -40.97 97.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.85 97.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 0.0 111.147 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 1.1 mp -71.86 -49.87 34.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.356 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 90.2 mt -87.91 -0.05 56.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.715 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 112' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . 56.73 -132.02 51.8 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.69 -19.62 58.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.734 0.302 . . . . 0.0 110.637 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 61.67 72.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.056 0.455 . . . . 0.0 110.774 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . 46.17 89.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.526 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 116' ' ' LYS . . . . . 0.42 ' HG2' ' H ' ' C' ' 116' ' ' LYS . 0.4 OUTLIER -57.42 -28.02 62.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.09 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.49 -31.84 73.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.446 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 47.0 t -61.8 -47.84 83.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.806 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 11.1 tp -75.01 -45.56 40.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.789 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -97.7 116.09 29.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.558 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 121' ' ' LEU . . . . . 0.459 ' H ' HD12 ' C' ' 121' ' ' LEU . 1.7 mp -85.85 -18.77 31.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.697 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 122' ' ' ARG . . . . . 0.538 ' O ' ' HB3' ' C' ' 123' ' ' ALA . 0.6 OUTLIER -67.29 -38.38 84.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.555 -179.479 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 123' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' C' ' 122' ' ' ARG . . . 70.39 -158.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.531 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 54.79 -82.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.575 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 125' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' C' ' 123' ' ' ALA . 39.2 mt -75.14 49.07 0.43 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.307 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.679 -179.84 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -157.3 143.46 17.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.494 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -159.89 -86.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.638 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' -10' ' ' HIS . . . . . 0.401 ' ND1' ' O ' ' C' ' -10' ' ' HIS . 4.4 p80 -166.75 103.47 0.58 Allowed 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.116 0.484 . . . . 0.0 110.473 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -61.22 -46.56 89.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.69 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -62.49 -36.24 81.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.453 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -59.19 -38.72 93.57 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.596 -1.001 . . . . 0.0 110.596 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . -162.0 142.21 7.82 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -149.99 -83.38 0.1 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.848 0.356 . . . . 0.0 111.026 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 18.3 t -136.06 71.36 62.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.292 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -70.96 145.42 50.15 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 122.492 2.128 . . . . 0.0 112.352 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -162.3 147.07 12.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.774 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . 146.46 -171.0 27.41 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.4 -6.26 6.85 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.214 0.531 . . . . 0.0 110.534 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.5 mtp -66.17 -34.07 77.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.23 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -59.18 -43.7 92.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.533 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -64.62 -41.74 95.98 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.187 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.94 -42.84 95.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.185 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -58.97 -45.54 90.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.208 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -58.89 -43.41 90.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.423 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.99 -40.71 94.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.976 0.417 . . . . 0.0 110.511 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.75 -40.47 95.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.496 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.473 ' O ' ' O ' ' C' ' 12' ' ' LEU . 75.4 t -63.08 -41.05 91.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.127 0.489 . . . . 0.0 110.509 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.05 -38.16 90.09 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.599 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -82.4 -38.55 23.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' C' ' 9' ' ' VAL . 58.3 mt -100.57 135.45 41.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.989 0.423 . . . . 0.0 110.594 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 66.7 p -81.32 164.95 21.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 57.4 mp0 -61.99 -41.85 98.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.237 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -62.56 -44.72 95.63 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.146 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -62.29 -38.88 91.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.023 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -60.49 -41.28 93.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.109 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -60.47 -44.66 95.67 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.353 0.597 . . . . 0.0 110.489 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.19 -38.77 92.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.232 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.99 -38.75 89.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.29 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -59.32 -45.0 92.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.433 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.57 95.01 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.53 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.6 93.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.452 0.644 . . . . 0.0 110.262 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -61.2 -42.19 98.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.679 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -59.32 -56.27 24.16 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.423 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 14.2 tt -61.11 -24.02 31.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.823 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.13 -39.78 86.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.018 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 26.4 m -87.03 15.8 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.319 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.48 122.59 17.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.563 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.72 6.72 89.2 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.29 112.78 2.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.815 0.34 . . . . 0.0 110.541 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.48 -40.55 89.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.799 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -91.65 3.88 54.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.638 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 68.55 28.67 73.04 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 93.3 p -150.6 164.12 36.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.32 . . . . 0.0 110.566 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 97.8 mt -76.19 120.28 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.386 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 49.7 m -119.26 -170.79 1.99 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.477 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.1 p -63.16 -36.03 82.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.481 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -44.17 97.03 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.997 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.434 ' OE1' ' N ' ' C' ' 40' ' ' GLU . 20.1 mp0 -61.6 -43.7 98.38 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.746 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 48.2 tp -68.7 -37.38 79.48 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.264 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.04 -37.59 91.8 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -59.33 -39.89 84.54 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.365 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.54 -47.68 88.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.48 0.657 . . . . 0.0 110.114 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 60.0 mtt -63.57 -40.69 97.62 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.373 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.12 -37.89 86.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.491 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 5.2 tpp -58.34 -39.03 78.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.808 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' C' ' 48' ' ' LEU . 3.7 mm? -69.58 -13.1 62.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.711 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.93 10.56 45.79 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -88.81 158.51 18.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.776 0.322 . . . . 0.0 110.398 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -129.76 72.06 82.01 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.511 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -73.44 154.8 50.74 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.683 2.256 . . . . 0.0 112.518 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 30.9 p -95.55 143.27 25.83 Favored Pre-proline 0 N--CA 1.446 -0.646 0 C-N-CA 119.699 -0.801 . . . . 0.0 110.963 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -56.15 -31.31 82.99 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.301 2.001 . . . . 0.0 112.432 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 55' ' ' GLU . . . . . 0.447 ' O ' ' OE1' ' C' ' 59' ' ' GLU . 21.0 tp10 -61.44 -47.32 86.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.252 -178.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -73.56 -31.29 63.56 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.678 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.37 -42.01 93.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.859 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -69.25 -41.08 77.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.435 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 59' ' ' GLU . . . . . 0.487 ' N ' ' OE1' ' C' ' 59' ' ' GLU . 1.6 mp0 -64.18 -42.35 96.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 57.8 ttm -60.49 -46.02 91.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.427 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 3.9 mm -62.84 -43.25 98.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.689 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -59.94 -41.26 91.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.75 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 63' ' ' GLU . . . . . 0.414 ' OE1' ' O ' ' C' ' 59' ' ' GLU . 0.7 OUTLIER -64.68 -41.8 95.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.89 179.845 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 76.1 t -79.11 -32.34 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.041 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 46.9 t0 -42.55 143.36 0.68 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.535 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 66' ' ' GLU . . . . . 0.557 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 5.6 tp10 -86.3 -47.62 9.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.291 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 50.4 p-10 -101.88 1.23 36.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.272 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.23 23.73 76.19 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 69' ' ' SER . . . . . 0.51 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 93.5 p -67.67 -16.9 64.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.776 0.322 . . . . 0.0 110.846 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.16 -4.0 82.66 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 68.7 p -136.44 163.59 30.12 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 121.169 -0.212 . . . . 0.0 110.716 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 72' ' ' VAL . . . . . 0.649 HG23 ' O ' ' C' ' 72' ' ' VAL . 32.6 m -125.82 109.09 20.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.448 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.94 -170.75 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.52 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -58.44 -48.71 79.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -60.69 -46.97 88.33 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.737 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -69.04 -38.27 79.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.973 0.416 . . . . 0.0 110.979 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -59.88 -47.73 84.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.6 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 10.4 tp -62.3 -40.79 97.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.317 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.28 -41.22 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.709 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 80' ' ' MET . . . . . 0.451 ' SD ' HG11 ' C' ' 72' ' ' VAL . 63.5 mtp -59.62 -44.18 93.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 7.7 mmt -63.2 -44.32 95.68 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.905 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 89.5 t -68.75 -40.55 81.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.634 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -58.89 -43.6 90.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.424 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 78.3 mtm -62.21 -44.13 97.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.602 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -64.04 -44.01 93.8 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.779 -0.369 . . . . 0.0 111.262 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -63.69 -42.84 97.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.565 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 88' ' ' ASP . . . . . 0.538 ' O ' ' O ' ' C' ' 91' ' ' ASN . 97.8 m-20 -63.62 -40.35 96.68 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.504 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 48.2 t -71.1 -41.73 70.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.076 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.58 -46.25 90.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.172 -178.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 91' ' ' ASN . . . . . 0.538 ' O ' ' O ' ' C' ' 88' ' ' ASP . 36.0 p30 -116.31 165.7 12.89 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.583 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 26.9 mt -116.12 -13.16 11.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.872 0.368 . . . . 0.0 110.823 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -86.63 112.74 21.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.191 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.74 157.5 30.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.65 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -86.59 -158.85 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.213 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -59.02 -37.28 91.35 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.1 117.03 31.54 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.466 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -77.6 151.85 34.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.484 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 99' ' ' VAL . . . . . 0.438 ' O ' HG13 ' C' ' 99' ' ' VAL . 7.1 p -130.68 126.56 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.639 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -140.15 13.53 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.595 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 37.3 mm -112.26 126.02 69.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-O 120.942 0.401 . . . . 0.0 110.609 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 43.8 t -82.74 144.17 30.38 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.848 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.07 99.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.487 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -60.14 -40.61 90.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.533 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.26 96.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.617 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 13.6 ttp -63.57 -42.92 98.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.864 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 92.3 mtp -65.32 -38.45 90.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.314 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 108' ' ' GLN . . . . . 0.564 ' O ' ' N ' ' C' ' 112' ' ' GLY . 11.5 mm-40 -60.54 -42.53 96.69 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.674 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.46 98.78 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.658 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.19 -41.24 90.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.022 0.439 . . . . 0.0 111.015 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 70.4 mt -98.19 9.22 43.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.436 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 112' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . -63.01 -26.75 69.42 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -71.41 -31.46 67.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.62 0.248 . . . . 0.0 111.048 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -106.13 -0.13 24.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.238 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.87 148.21 51.82 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.557 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -68.54 -18.74 64.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.524 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.89 -27.27 68.69 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.219 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 88.2 p -63.98 -35.78 81.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.523 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -84.59 -25.63 28.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.807 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -47.16 127.36 10.41 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.48 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 2.1 tp -163.26 -42.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.776 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -58.77 138.69 57.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.554 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -99.46 128.95 45.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 124' ' ' HIS . . . . . 0.411 ' O ' ' CG ' ' C' ' 124' ' ' HIS . 56.1 t-80 -141.7 -3.77 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.64 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 1.3 pp -148.51 147.6 29.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.51 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.878 -1.058 . . . . 0.0 110.465 -179.935 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' -12' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' C' ' -10' ' ' HIS . 85.2 t60 -149.45 133.51 17.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.699 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 65.52 -68.59 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' -10' ' ' HIS . . . . . 0.462 ' N ' ' O ' ' C' ' -12' ' ' HIS . 78.1 m80 -71.01 153.97 42.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' -9' ' ' HIS . . . . . 0.477 ' CG ' ' N ' ' C' ' -8' ' ' HIS . 0.0 OUTLIER 67.49 -50.59 0.5 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.856 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' -8' ' ' HIS . . . . . 0.477 ' N ' ' CG ' ' C' ' -9' ' ' HIS . 66.3 t-80 -60.52 -43.88 96.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.438 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -110.6 151.98 17.49 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . -154.25 -145.77 4.24 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.96 -11.1 59.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.586 0.231 . . . . 0.0 110.576 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 16.9 t -133.22 68.81 77.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.493 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -75.62 157.85 40.01 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.799 2.333 . . . . 0.0 112.267 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -64.84 -24.34 67.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.49 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' -1' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' C' ' 0' ' ' SER . . . -66.05 -12.17 56.91 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 0' ' ' SER . . . . . 0.457 ' O ' ' O ' ' C' ' -1' ' ' GLY . 19.6 m -55.5 -158.21 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.918 0.389 . . . . 0.0 110.499 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.4 mmt -103.78 18.05 22.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.664 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 2' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' C' ' 2' ' ' ASP . 27.4 p-10 -57.78 -37.91 74.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.935 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.72 -40.05 93.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.602 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 4' ' ' ILE . . . . . 0.634 ' N ' HD12 ' C' ' 4' ' ' ILE . 1.8 mp -62.63 -42.98 98.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -57.97 -46.16 85.6 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.226 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm -63.43 -43.3 97.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.854 0.359 . . . . 0.0 111.033 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.6 91.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.099 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.55 -44.76 95.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.112 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.22 -43.69 98.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.782 0.325 . . . . 0.0 110.822 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.55 -40.18 93.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.786 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -80.36 -38.81 29.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.035 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 32.1 mt -82.77 146.2 29.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.647 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 43.5 p -118.95 179.54 4.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.479 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -59.11 -39.3 81.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.329 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -61.48 -45.36 94.59 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.527 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -64.17 -39.66 94.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.398 0.618 . . . . 0.0 110.403 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -67.24 -37.98 84.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.912 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -59.57 -49.0 79.47 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.391 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -65.15 -34.38 78.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.386 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.27 -45.17 92.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.801 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -59.83 -44.54 93.99 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.878 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.38 87.56 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.441 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.09 94.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.61 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -61.49 -43.72 98.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.657 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -59.97 -41.4 91.88 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.488 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.0 -41.07 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.965 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -61.85 -45.84 92.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.907 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 27.7 m -74.96 -17.48 16.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.957 0.408 . . . . 0.0 110.525 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.56 111.22 3.5 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.669 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.77 -9.15 58.38 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.91 120.71 17.89 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.636 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -68.07 -41.97 81.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.625 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.58 -22.09 64.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.643 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.82 10.1 67.41 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 91.4 p -148.43 173.38 13.15 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.785 0.326 . . . . 0.0 110.572 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 69.0 mt -76.7 123.79 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 83.0 p -118.39 -175.8 2.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.695 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 38' ' ' THR . . . . . 0.414 HG22 ' H ' ' C' ' 38' ' ' THR . 0.6 OUTLIER -59.47 -29.26 67.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.358 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -61.41 -44.68 96.71 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.711 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -66.26 -41.13 90.36 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.405 0.622 . . . . 0.0 110.369 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 41' ' ' LEU . . . . . 0.532 HD13 HD11 ' C' ' 61' ' ' ILE . 4.9 mt -68.0 -36.38 79.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.675 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.73 -44.11 97.25 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -61.71 -45.14 95.23 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.968 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.87 -44.58 98.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.441 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 45' ' ' MET . . . . . 0.427 ' C ' ' O ' ' C' ' 50' ' ' GLN . 22.2 mmt -63.67 -38.47 91.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.619 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -58.47 -45.62 88.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.917 0.389 . . . . 0.0 110.422 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 74.0 mtm -65.32 -36.18 83.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.438 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.73 -8.67 37.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.66 9.61 52.29 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 50' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' C' ' 45' ' ' MET . 20.4 mm-40 -122.88 134.2 54.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.874 0.369 . . . . 0.0 110.629 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 51' ' ' ASN . . . . . 0.514 ' N ' ' OD1' ' C' ' 51' ' ' ASN . 8.1 p-10 -138.58 69.97 45.26 Favored Pre-proline 0 C--N 1.326 -0.45 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.357 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.0 155.43 68.23 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 123.21 2.606 . . . . 0.0 111.717 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 26.8 p -59.05 138.57 87.79 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 120.009 -0.676 . . . . 0.0 110.996 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.71 -38.58 77.21 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 122.301 2.001 . . . . 0.0 112.258 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -61.35 -45.36 94.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.347 . . . . 0.0 110.677 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.4 -39.35 93.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.684 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.79 -42.6 99.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -63.26 -42.04 99.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.779 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.31 -43.06 99.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.966 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 60' ' ' MET . . . . . 0.703 ' O ' HG23 ' C' ' 64' ' ' VAL . 99.4 mtp -65.45 -39.56 92.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.951 0.405 . . . . 0.0 110.663 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 61' ' ' ILE . . . . . 0.532 HD11 HD13 ' C' ' 41' ' ' LEU . 1.2 mp -62.61 -40.59 88.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.385 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -60.57 -46.08 91.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.432 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -68.62 -39.14 80.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.82 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 64' ' ' VAL . . . . . 0.703 HG23 ' O ' ' C' ' 60' ' ' MET . 77.7 t -62.79 -39.89 86.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.452 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.523 ' OD2' ' N ' ' C' ' 71' ' ' THR . 97.6 m-20 -53.6 119.75 5.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 0.0 110.44 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 41.7 mp0 -67.68 -40.69 84.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.775 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -91.36 -0.09 57.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.26 25.31 73.57 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 99.0 p -61.17 -20.52 62.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.904 0.383 . . . . 0.0 110.716 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.23 -9.36 77.76 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 71' ' ' THR . . . . . 0.523 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 68.4 p -137.91 172.43 12.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.636 0.255 . . . . 0.0 110.548 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 72.3 t -104.88 107.14 21.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.221 0.534 . . . . 0.0 110.551 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 45.0 p-10 -96.43 -169.45 1.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.653 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -56.76 -49.75 74.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.009 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.88 -46.81 87.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.005 0.431 . . . . 0.0 111.087 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -65.62 -38.76 90.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.425 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -59.94 -48.11 83.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.244 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 78' ' ' LEU . . . . . 0.525 ' O ' HG23 ' C' ' 82' ' ' VAL . 1.0 OUTLIER -57.43 -40.3 78.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.97 -179.515 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.99 -47.82 91.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-O 121.332 0.587 . . . . 0.0 110.545 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 89.5 mtp -63.59 -39.99 95.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.552 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 3.0 ttt -60.9 -38.86 87.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 82' ' ' VAL . . . . . 0.525 HG23 ' O ' ' C' ' 78' ' ' LEU . 57.9 t -60.43 -38.08 76.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.117 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 83' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' C' ' 83' ' ' ARG . 31.6 ttp-105 -49.47 -43.86 45.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.589 -178.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 25.3 mmt -68.9 -29.89 68.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.591 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -59.44 -46.65 88.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.331 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -68.92 -40.13 79.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.005 0.431 . . . . 0.0 110.429 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 88' ' ' ASP . . . . . 0.436 ' O ' ' OD1' ' C' ' 88' ' ' ASP . 54.7 t0 -66.6 -28.42 68.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.576 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 47.6 t -58.14 -48.07 81.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.498 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 90' ' ' GLU . . . . . 0.515 ' O ' ' C ' ' C' ' 91' ' ' ASN . 15.4 tm-20 -75.7 -57.52 3.83 Favored 'General case' 0 CA--C 1.51 -0.579 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.464 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 91' ' ' ASN . . . . . 0.515 ' C ' ' O ' ' C' ' 90' ' ' GLU . 24.2 t-20 12.56 76.31 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.659 0 O-C-N 124.49 1.119 . . . . 0.0 111.585 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 92' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' C' ' 94' ' ' PHE . 5.9 tp -158.32 128.34 5.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.144 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 4.2 t80 65.28 -65.9 0.15 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.3 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 94' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' C' ' 92' ' ' LEU . 57.4 t80 -97.12 95.74 7.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.362 -0.381 . . . . 0.0 109.996 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -125.25 72.31 1.24 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.565 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.45 -40.15 98.27 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -77.44 125.81 29.92 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.424 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -105.99 136.89 44.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.567 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 99' ' ' VAL . . . . . 0.431 HG22 ' H ' ' C' ' 101' ' ' ILE . 9.9 p -139.11 136.74 42.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.188 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 45.3 ttt-85 -125.47 34.23 4.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.468 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 101' ' ' ILE . . . . . 0.431 ' H ' HG22 ' C' ' 99' ' ' VAL . 78.7 mt -128.1 121.51 56.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.546 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 66.6 p -86.14 167.55 14.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.596 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.94 97.07 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.15 0.5 . . . . 0.0 110.286 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.52 -39.22 93.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.185 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.32 -38.94 88.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.341 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 54.3 ttm -59.48 -47.71 84.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.412 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 65.4 ttp -60.8 -44.3 97.03 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.123 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -63.35 -44.04 95.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.456 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.59 -40.76 97.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.442 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.51 -44.64 95.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.119 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 3.5 tp -76.51 -36.49 57.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.391 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.02 175.49 42.43 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.17 97.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.892 0.377 . . . . 0.0 110.672 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -57.62 129.97 44.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.58 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -165.13 -139.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.763 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm 62.45 178.31 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.434 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 117' ' ' GLU . . . . . 0.458 ' O ' ' O ' ' C' ' 120' ' ' ASP . 90.2 mt-10 -91.71 4.97 51.51 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.534 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 36.2 t -60.18 -40.35 89.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.346 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.11 -37.26 86.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.313 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 120' ' ' ASP . . . . . 0.464 ' O ' ' O ' ' C' ' 121' ' ' LEU . 75.0 m-20 -94.99 147.77 23.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.497 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 121' ' ' LEU . . . . . 0.464 ' O ' ' O ' ' C' ' 120' ' ' ASP . 0.6 OUTLIER 57.52 148.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.527 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.46 163.08 18.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.711 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . 57.67 -131.67 1.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.54 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 124' ' ' HIS . . . . . 0.526 ' CE1' ' O ' ' C' ' 125' ' ' LEU . 6.1 p80 -99.06 168.17 10.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.447 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 125' ' ' LEU . . . . . 0.526 ' O ' ' CE1' ' C' ' 124' ' ' HIS . 0.6 OUTLIER -55.75 141.01 40.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.552 -179.763 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.843 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -160.96 -30.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.403 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -64.09 -40.13 95.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.977 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.4 -12.78 9.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.374 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -82.02 121.77 26.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.402 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -128.82 156.45 43.59 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.574 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -85.48 3.87 86.53 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . 72.16 29.83 66.04 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 2.3 tp 71.08 19.45 5.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.674 0.273 . . . . 0.0 110.602 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 38.5 t -131.12 83.23 61.07 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.316 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.3 134.19 55.91 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.533 2.155 . . . . 0.0 111.731 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 3.9 mmm-85 178.24 -3.83 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 O-C-N 123.392 0.432 . . . . 0.0 110.493 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . -92.75 -154.91 31.53 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 10.1 m 44.67 93.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.849 0.356 . . . . 0.0 110.53 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.9 ptm -88.03 16.16 6.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.595 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -60.18 -39.83 87.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.541 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -62.9 -42.07 99.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.447 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.3 -45.51 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.444 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -58.94 -47.65 84.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.424 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.61 -44.19 97.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.402 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.67 -40.03 93.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.545 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 8' ' ' ALA . . . . . 0.441 ' HB2' HG21 ' C' ' 82' ' ' VAL . . . -60.81 -41.26 95.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.386 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.489 ' O ' ' O ' ' C' ' 12' ' ' LEU . 79.3 t -63.26 -40.77 90.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.069 0.461 . . . . 0.0 109.982 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.63 -46.31 90.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.351 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -72.59 -41.33 65.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.816 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' C' ' 9' ' ' VAL . 12.3 mt -117.57 133.64 55.74 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.194 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 58.1 p -81.97 163.56 22.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -62.98 -40.29 97.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.344 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 15' ' ' GLU . . . . . 0.45 ' O ' ' OE2' ' C' ' 19' ' ' GLU . 40.2 mp0 -63.67 -41.07 98.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.636 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -62.99 -41.19 99.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.334 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -61.39 -40.68 95.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.757 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.25 -44.21 97.62 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.518 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' GLU . . . . . 0.45 ' OE2' ' O ' ' C' ' 15' ' ' GLU . 0.8 OUTLIER -70.72 -42.49 70.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.873 0.368 . . . . 0.0 110.805 179.476 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -61.45 -25.9 67.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.606 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -54.89 -36.74 65.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.399 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.12 -41.61 97.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.933 0.397 . . . . 0.0 110.25 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.23 -40.39 95.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.102 0.477 . . . . 0.0 110.268 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 24' ' ' PHE . . . . . 0.62 ' CD2' ' CE2' ' C' ' 74' ' ' PHE . 62.9 t80 -62.66 -42.47 99.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.226 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -57.65 -39.58 77.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.027 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 26' ' ' ILE . . . . . 0.496 ' O ' HD23 ' C' ' 29' ' ' LEU . 96.7 mt -64.0 -41.8 93.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.204 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.19 -35.46 71.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 33.3 m -102.37 28.23 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' LEU . . . . . 0.614 ' O ' HD12 ' C' ' 29' ' ' LEU . 2.6 pp -63.07 122.76 16.86 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.598 0.713 . . . . 0.0 110.639 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 62.92 22.85 65.07 Favored Glycine 0 CA--C 1.523 0.549 0 C-N-CA 120.293 -0.956 . . . . 0.0 110.712 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.89 124.47 21.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 110.678 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.08 -39.98 78.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.768 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -91.97 -23.73 19.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.727 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.92 -5.81 79.16 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 94.4 p -122.41 174.99 6.68 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.76 0.314 . . . . 0.0 110.608 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 mm -82.23 129.16 37.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 9.5 t -131.44 -169.59 2.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.408 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 70.6 p -60.76 -36.38 78.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.676 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.83 -44.97 91.65 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.399 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -70.8 -40.67 72.39 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.994 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 41' ' ' LEU . . . . . 0.433 ' O ' ' SD ' ' C' ' 45' ' ' MET . 0.6 OUTLIER -60.09 -27.0 66.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.825 -179.842 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.38 -34.31 74.35 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.399 -1.081 . . . . 0.0 110.399 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -62.26 -41.84 98.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.771 0.319 . . . . 0.0 110.443 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 77.4 t -63.77 -44.77 98.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.429 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 45' ' ' MET . . . . . 0.61 ' N ' ' SD ' ' C' ' 45' ' ' MET . 0.0 OUTLIER -61.95 -41.8 98.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.745 0.307 . . . . 0.0 111.141 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -61.43 -44.04 97.83 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.428 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 78.2 mtm -65.68 -39.29 91.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.324 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 2.6 mp -70.76 -13.16 61.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.15 4.11 78.33 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -95.0 150.03 20.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.36 . . . . 0.0 110.612 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -138.41 70.31 46.43 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 52' ' ' PRO . . . . . 0.456 ' HG2' HD21 ' C' ' 57' ' ' LEU . 57.3 Cg_endo -76.31 156.35 37.21 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.85 2.366 . . . . 0.0 112.618 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 53.9 p -69.68 153.07 95.94 Favored Pre-proline 0 N--CA 1.451 -0.422 0 C-N-CA 120.024 -0.67 . . . . 0.0 111.067 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -54.87 -38.84 92.37 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 122.088 1.859 . . . . 0.0 112.398 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -62.71 -42.42 99.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.862 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.5 -40.47 95.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.628 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 57' ' ' LEU . . . . . 0.456 HD21 ' HG2' ' C' ' 52' ' ' PRO . 71.3 mt -62.84 -40.27 96.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -60.07 -45.38 93.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.45 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.51 -38.12 88.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.83 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 34.4 tpp -59.78 -44.48 93.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.491 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 61' ' ' ILE . . . . . 0.407 HD11 HD12 ' C' ' 41' ' ' LEU . 97.8 mt -66.57 -40.21 85.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -58.51 -43.04 88.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.346 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -71.44 -40.62 70.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.738 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 64' ' ' VAL . . . . . 0.554 HG13 ' SD ' ' C' ' 80' ' ' MET . 63.5 t -67.27 -39.91 83.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.295 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.474 ' OD2' ' N ' ' C' ' 70' ' ' GLY . 80.8 m-20 -50.73 130.5 24.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.132 0.491 . . . . 0.0 110.643 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -68.82 -41.92 77.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.308 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -106.09 1.46 26.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.53 23.99 77.18 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 93.0 p -62.4 -19.86 63.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.961 0.41 . . . . 0.0 110.683 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 70' ' ' GLY . . . . . 0.474 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 95.44 -11.93 68.29 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 63.0 p -137.22 162.5 33.32 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.432 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.72 115.91 51.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.888 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.85 179.28 6.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.518 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 74' ' ' PHE . . . . . 0.62 ' CE2' ' CD2' ' C' ' 24' ' ' PHE . 0.2 OUTLIER -58.18 -50.64 72.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.573 -179.483 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.84 -46.6 89.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.888 0.375 . . . . 0.0 111.027 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -66.03 -37.41 85.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.363 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -59.1 -47.47 85.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.37 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.65 -41.55 90.83 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.064 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 55.4 t -61.84 -43.58 97.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.473 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 80' ' ' MET . . . . . 0.554 ' SD ' HG13 ' C' ' 64' ' ' VAL . 12.7 mmm -57.51 -45.85 84.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.068 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 3.2 mtt -61.89 -45.56 93.19 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.769 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 82' ' ' VAL . . . . . 0.441 HG21 ' HB2' ' C' ' 8' ' ' ALA . 64.4 t -63.13 -46.09 96.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.884 0.373 . . . . 0.0 110.79 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.67 -41.42 92.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.747 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 60.8 mtt -61.69 -43.91 97.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.796 0.331 . . . . 0.0 110.674 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -64.57 -40.88 96.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.787 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -61.99 -47.43 84.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.809 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.99 -42.64 99.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 74.4 m -67.25 -43.31 82.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.086 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 90' ' ' GLU . . . . . 0.401 ' O ' HD12 ' C' ' 92' ' ' LEU . 12.0 mm-40 -64.38 -39.32 93.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.636 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 91' ' ' ASN . . . . . 0.478 HD22 ' CB ' ' C' ' 94' ' ' PHE . 5.5 t-20 -76.74 116.41 17.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 92' ' ' LEU . . . . . 0.401 HD12 ' O ' ' C' ' 90' ' ' GLU . 3.9 mp -100.1 138.73 36.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.619 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 93' ' ' TYR . . . . . 0.606 ' O ' ' N ' ' C' ' 95' ' ' GLN . 1.9 m-85 51.71 -94.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.994 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 94' ' ' PHE . . . . . 0.478 ' CB ' HD22 ' C' ' 91' ' ' ASN . 0.6 OUTLIER 37.91 -85.78 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.092 0 O-C-N 123.49 0.494 . . . . 0.0 110.798 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 95' ' ' GLN . . . . . 0.606 ' N ' ' O ' ' C' ' 93' ' ' TYR . 73.0 mt-30 -76.92 127.36 32.57 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.249 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -63.3 -39.84 98.29 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.341 -0.703 . . . . 0.0 111.341 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 87.1 mmt-85 -62.28 149.28 42.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.133 0.492 . . . . 0.0 110.639 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -131.28 172.03 12.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.925 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 99' ' ' VAL . . . . . 0.424 HG22 ' H ' ' C' ' 99' ' ' VAL . 4.8 m -87.15 86.83 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.515 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -81.44 -18.59 44.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.643 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 2.9 mp -105.18 112.34 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.413 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 82.8 p -73.66 161.2 30.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.605 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.54 99.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.636 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -64.53 -43.16 94.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.455 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.59 -40.64 95.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.546 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 64.9 ttp -61.93 -44.13 97.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.386 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -41.52 95.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.526 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 108' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' C' ' 112' ' ' GLY . 71.3 mt-30 -62.1 -40.97 97.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.711 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.03 93.5 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.674 -0.411 . . . . 0.0 111.055 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 18.5 mt -67.89 -43.44 79.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.197 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 9.3 mp -76.09 -38.09 57.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.708 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 112' ' ' GLY . . . . . 0.447 ' O ' ' HB3' ' C' ' 113' ' ' ALA . . . 59.92 -133.48 51.12 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 113' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' C' ' 112' ' ' GLY . . . 66.15 -153.26 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 0.0 110.81 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -74.76 155.04 38.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.545 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -85.48 -136.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.484 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.46 143.2 53.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.782 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.91 -14.02 58.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.559 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 47.0 t -58.36 -38.86 78.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.033 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 97.3 mt -81.45 -7.09 59.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.792 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -124.61 24.0 7.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.56 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 4.3 tt -163.39 132.24 3.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.689 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 122' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' C' ' 123' ' ' ALA . 0.0 OUTLIER -118.8 -5.52 10.63 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.938 -179.851 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 123' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' C' ' 122' ' ' ARG . . . 60.63 125.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.434 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 124' ' ' HIS . . . . . 0.443 ' O ' ' O ' ' C' ' 125' ' ' LEU . 84.9 t60 -106.15 111.62 24.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.531 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 125' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' C' ' 124' ' ' HIS . 68.5 mt 44.14 -171.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.731 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 62.2 pttt . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.602 -179.946 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -64.77 -20.16 66.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.434 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -58.42 -38.31 77.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.577 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' -10' ' ' HIS . . . . . 0.423 ' O ' ' CB ' ' C' ' -9' ' ' HIS . 96.3 m-70 -64.21 -39.33 93.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.495 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' -9' ' ' HIS . . . . . 0.423 ' CB ' ' O ' ' C' ' -10' ' ' HIS . 13.2 t-80 76.43 -45.88 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.456 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 60.08 151.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.644 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . 88.92 -6.05 84.02 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . -98.69 59.02 0.91 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 7.3 mp -112.08 178.71 4.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.634 0.254 . . . . 0.0 110.457 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 40.8 t -122.65 87.5 49.64 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.121 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -51.99 -173.73 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.795 2.33 . . . . 0.0 112.294 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -46.65 141.07 4.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.366 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . -126.5 -131.1 3.49 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 4.3 t -82.73 -83.24 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.851 0.358 . . . . 0.0 110.418 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.458 ' CB ' HD12 ' C' ' 4' ' ' ILE . 2.9 mpp? -73.1 67.75 0.92 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.145 0.498 . . . . 0.0 110.149 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 2' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' C' ' 3' ' ' ASP . 46.2 p-10 -58.6 -30.91 67.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.37 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 3' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' C' ' 2' ' ' ASP . 34.4 p-10 -60.91 -44.85 96.58 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.905 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 4' ' ' ILE . . . . . 0.492 ' N ' ' OD1' ' C' ' 3' ' ' ASP . 94.9 mt -63.37 -46.81 94.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.019 0.437 . . . . 0.0 110.961 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -66.83 -39.03 87.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.009 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -61.38 -41.91 97.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.556 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.13 -41.96 99.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.681 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.3 99.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.11 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.457 ' O ' ' O ' ' C' ' 12' ' ' LEU . 74.9 t -64.93 -40.09 87.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.423 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.34 -42.42 98.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.861 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -79.59 -40.54 29.12 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.505 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.457 ' O ' ' O ' ' C' ' 9' ' ' VAL . 1.1 mp -117.38 143.77 45.63 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.795 -179.457 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 68.3 p -107.47 163.27 13.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.695 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -61.97 -39.72 93.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.801 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.52 -41.55 98.92 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.332 0.587 . . . . 0.0 110.29 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -64.23 -38.75 92.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.155 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -59.35 -41.67 89.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.143 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -59.41 -46.38 88.86 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.04 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -68.32 -40.39 81.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.153 0.501 . . . . 0.0 110.644 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -61.79 -23.03 65.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.478 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -54.54 -38.38 66.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.012 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.1 98.02 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.367 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.86 95.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.406 0.622 . . . . 0.0 110.482 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' PHE . . . . . 0.459 ' CE2' ' CE2' ' C' ' 74' ' ' PHE . 57.5 t80 -66.78 -38.81 87.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.562 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -58.87 -49.4 77.9 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.914 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 35.9 pt -65.8 -31.41 53.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.476 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.21 -46.99 47.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.03 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 2.0 p -80.54 -2.28 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.438 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 29' ' ' LEU . . . . . 0.441 ' O ' ' OE2' ' C' ' 40' ' ' GLU . 60.9 tp -56.03 129.75 41.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.109 0.481 . . . . 0.0 110.35 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.65 -13.54 67.02 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.52 97.99 9.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.972 0.415 . . . . 0.0 110.198 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.81 -21.59 66.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.606 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.42 -21.27 66.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.422 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.12 -4.2 84.54 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 64.6 m -132.35 149.62 52.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 110.796 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 10.4 pt -57.96 122.12 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.052 0.453 . . . . 0.0 110.585 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 73.6 p -114.83 -178.65 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.395 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 74.2 p -63.93 -35.33 80.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.382 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -61.78 -46.51 89.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.571 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.441 ' OE2' ' O ' ' C' ' 29' ' ' LEU . 1.3 mm-40 -68.79 -45.06 72.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.578 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 41' ' ' LEU . . . . . 0.534 ' O ' ' SD ' ' C' ' 45' ' ' MET . 86.4 mt -62.26 -28.72 69.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.873 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.63 -38.59 91.89 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -61.45 -39.49 91.02 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.773 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.19 -45.53 98.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.403 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 45' ' ' MET . . . . . 0.597 ' SD ' ' N ' ' C' ' 45' ' ' MET . 0.0 OUTLIER -61.17 -42.09 97.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.772 0.32 . . . . 0.0 110.68 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.54 -39.45 93.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.395 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 51.4 ttm -60.99 -41.27 96.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.201 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 tp -73.18 -11.45 60.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.57 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.26 -5.95 59.33 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -88.12 139.23 30.72 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 120.923 0.392 . . . . 0.0 110.795 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -71.01 148.15 94.27 Favored Pre-proline 0 C--N 1.327 -0.409 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.623 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.85 141.21 53.13 Favored 'Trans proline' 0 N--CA 1.491 1.382 0 C-N-CA 122.041 1.828 . . . . 0.0 112.112 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 1.1 p -138.27 106.18 7.9 Favored Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.991 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.27 -21.43 35.8 Favored 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 121.912 1.741 . . . . 0.0 112.331 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -73.27 -49.36 28.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.052 0.453 . . . . 0.0 111.486 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.56 -37.17 60.15 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.055 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 69.0 mt -62.28 -43.07 99.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.788 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -67.79 -38.66 83.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.126 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -69.91 -41.73 74.28 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.707 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 60' ' ' MET . . . . . 0.789 ' O ' HG22 ' C' ' 64' ' ' VAL . 14.2 tpt -66.87 -48.51 68.55 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.625 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 17.8 tt -63.15 -34.49 67.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -68.69 -46.56 68.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.34 -46.31 87.22 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.293 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 64' ' ' VAL . . . . . 0.789 HG22 ' O ' ' C' ' 60' ' ' MET . 35.1 m -75.14 -15.71 15.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.616 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.553 ' OD2' ' N ' ' C' ' 69' ' ' SER . 51.7 t0 -45.66 151.03 0.45 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.263 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 66' ' ' GLU . . . . . 0.549 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 13.5 tm-20 -78.89 -49.88 12.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.856 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 67' ' ' ASP . . . . . 0.468 ' CG ' ' HG ' ' C' ' 69' ' ' SER . 35.5 p30 -114.38 7.03 16.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.32 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.21 23.28 77.83 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 120.318 -0.944 . . . . 0.0 111.226 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 69' ' ' SER . . . . . 0.553 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 51.0 m -65.42 -16.47 63.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.4 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.25 -12.77 69.11 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 78.5 p -135.54 164.0 28.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.629 0.252 . . . . 0.0 110.475 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 59.9 t -109.85 105.98 19.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.551 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.01 177.88 7.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.487 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 74' ' ' PHE . . . . . 0.459 ' CE2' ' CE2' ' C' ' 24' ' ' PHE . 62.6 m-85 -60.12 -49.0 79.37 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.982 0.42 . . . . 0.0 110.763 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -65.01 -39.71 93.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.572 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.88 -39.93 95.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.792 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -60.33 -47.37 86.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.525 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.63 -48.02 83.63 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.513 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 79' ' ' VAL . . . . . 0.508 ' O ' HG22 ' C' ' 82' ' ' VAL . 64.0 t -69.54 -45.56 77.96 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.602 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 64.4 ttp -58.81 -25.26 63.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -53.02 -37.93 61.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.437 -179.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 82' ' ' VAL . . . . . 0.508 HG22 ' O ' ' C' ' 79' ' ' VAL . 1.6 m -72.08 -35.72 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.38 . . . . 0.0 110.755 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 83' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' C' ' 84' ' ' 4J4 . 63.8 ttm-85 -62.03 -38.57 89.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.248 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 84' ' ' 4J4 . . . . . 0.452 ' SG ' ' N ' ' C' ' 85' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 85' ' ' MET . . . . . 0.452 ' N ' ' SG ' ' C' ' 84' ' ' 4J4 . 3.8 mtt -62.9 -39.62 95.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.721 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -65.47 -40.99 93.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.692 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -62.24 -45.82 91.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.496 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -64.12 -38.04 89.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.878 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 74.9 m -59.49 -37.28 77.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.534 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -55.48 -27.19 46.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.385 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 91' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -80.59 0.61 33.27 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.118 0.485 . . . . 0.0 110.783 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 42.88 -143.95 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.614 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -113.23 44.86 1.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.764 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.59 -36.77 25.16 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.93 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -101.7 156.7 17.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.713 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -60.81 -42.25 99.45 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 95.0 mtm-85 -87.31 153.9 21.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 0.0 110.977 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.2 -155.8 0.45 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.273 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 3.0 m -42.28 123.05 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.927 0.394 . . . . 0.0 110.36 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 100' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' C' ' 100' ' ' ARG . 0.0 OUTLIER -47.62 -68.87 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.749 -179.785 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 82.0 mt -127.68 128.29 69.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.256 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 2.2 m -65.09 158.9 24.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.006 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.55 96.76 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.942 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 104' ' ' ASP . . . . . 0.461 ' CG ' ' N ' ' C' ' 105' ' ' ALA . 0.6 OUTLIER -67.61 -44.26 78.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.34 -179.728 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 105' ' ' ALA . . . . . 0.461 ' N ' ' CG ' ' C' ' 104' ' ' ASP . . . -61.78 -38.87 89.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.437 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 37.8 ttm -59.36 -46.36 88.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.528 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 11.6 tpp -60.88 -46.8 89.17 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.673 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -62.44 -41.6 98.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.635 -178.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.14 99.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 10.2 tp -73.75 -50.27 21.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.445 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 62.8 tp -62.86 -48.26 79.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.83 -149.72 17.12 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -109.32 -38.94 5.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.731 0.301 . . . . 0.0 110.796 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 40.5 mtt85 -65.12 117.93 8.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.041 0.448 . . . . 0.0 110.899 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -91.15 175.03 7.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.217 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 7.4 mmmt -126.74 154.62 43.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.742 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 68.76 3.1 3.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.466 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 90.1 p -63.34 -23.18 67.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.518 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 2.1 mp -61.69 -30.59 70.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.508 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -81.88 144.63 30.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.622 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -148.92 -172.98 4.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.743 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -62.37 -19.0 62.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.177 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.05 86.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.399 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 54.71 93.64 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.916 0.389 . . . . 0.0 110.618 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 89.4 mt -75.48 150.47 38.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.668 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 98.0 mttt . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.443 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' -13' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' C' ' -11' ' ' HIS . 3.5 m-70 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 11.2 m80 51.89 -88.47 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.682 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' -11' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' C' ' -13' ' ' HIS . 44.0 t-80 57.82 48.31 13.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.488 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 42.2 p-80 -65.62 157.97 28.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.571 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -151.36 131.23 13.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.445 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -109.11 138.21 45.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -85.8 -169.98 46.54 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . 92.58 -9.89 75.04 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 3.5 tp -114.27 55.44 0.74 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.841 0.353 . . . . 0.0 110.444 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 13.0 t -133.8 68.66 75.53 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.393 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -70.84 151.46 62.91 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.765 2.31 . . . . 0.0 112.088 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 24.5 ttm180 48.81 74.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.539 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . -74.41 153.93 46.86 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.61 116.62 2.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.851 0.358 . . . . 0.0 110.422 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 60.3 mmm 58.78 18.94 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.215 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.57 -38.32 89.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -57.43 -47.63 81.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.541 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 90.3 mt -62.84 -41.33 92.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.981 0.419 . . . . 0.0 110.156 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -62.3 -41.76 98.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.145 0.498 . . . . 0.0 110.188 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -64.83 -39.85 94.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.486 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.51 91.06 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.519 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.21 92.19 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 121.154 0.502 . . . . 0.0 110.353 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 60.5 t -71.34 -40.29 73.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.995 0.426 . . . . 0.0 110.937 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -61.03 -48.82 80.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.948 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.05 -38.04 87.36 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.176 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 39.9 mt -62.35 136.96 58.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.772 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.1 p -95.07 167.57 11.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.68 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.24 -39.66 91.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.405 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.44 -46.07 91.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -66.22 -41.04 90.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.464 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -67.3 -41.77 84.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.232 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -61.98 -45.13 94.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.604 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.65 -46.4 89.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.438 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -63.27 -41.53 99.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.691 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -63.28 -42.93 99.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.616 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.24 -44.07 97.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.489 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.71 -39.75 95.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.447 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -59.2 -46.59 88.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.78 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -58.74 -43.05 90.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.082 0.468 . . . . 0.0 110.541 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 87.3 mt -59.99 -43.86 93.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.822 0.344 . . . . 0.0 110.643 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -69.82 -37.0 76.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.06 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.15 -16.19 19.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.123 -178.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.51 128.07 34.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.198 -179.34 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.1 -8.71 45.63 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.39 119.65 36.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.829 0.347 . . . . 0.0 110.487 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -65.45 -38.56 90.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.808 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -64.45 -25.92 68.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.526 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.77 14.73 57.7 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 88.0 p -136.11 168.52 19.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.791 0.329 . . . . 0.0 110.612 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 3.9 pt -85.56 119.51 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.536 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 97.4 p -110.61 -162.2 0.79 Allowed 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.7 p -66.23 -32.04 73.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.574 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -59.99 -44.66 94.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.951 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 37.3 mp0 -64.92 -41.47 95.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.995 0.426 . . . . 0.0 110.518 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -37.35 87.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.207 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.36 -40.77 99.1 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -61.94 -42.43 99.1 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.1 0.476 . . . . 0.0 109.961 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 63.2 t -62.66 -42.94 97.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.217 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 23.6 mmt -61.99 -37.75 86.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.109 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -60.63 -40.58 92.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.07 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 22.8 mtt -62.61 -39.12 92.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.94 0.4 . . . . 0.0 110.282 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 18.9 mt -72.68 -10.02 59.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.504 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.9 18.74 49.97 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -125.97 148.4 49.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.889 0.376 . . . . 0.0 110.355 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.47 71.54 31.87 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.582 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -60.66 152.07 71.63 Favored 'Trans proline' 0 C--N 1.304 -1.763 0 C-N-CA 122.959 2.44 . . . . 0.0 112.098 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.57 155.15 61.39 Favored Pre-proline 0 N--CA 1.453 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.585 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -60.57 -32.18 93.15 Favored 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.541 2.161 . . . . 0.0 112.351 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -62.87 -45.83 90.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.629 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -63.96 -39.66 94.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.732 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 98.5 mt -62.88 -40.17 96.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.616 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -64.12 -40.99 97.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.042 0.448 . . . . 0.0 110.445 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -71.74 -39.5 70.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.78 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 59.3 ttm -62.15 -49.27 76.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.164 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 14.4 tt -69.49 -31.59 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.615 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.34 -43.99 96.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.796 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.54 -41.4 93.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.804 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 64' ' ' VAL . . . . . 0.522 ' O ' ' NH2' ' C' ' 83' ' ' ARG . 75.7 t -68.15 -39.48 81.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.594 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 23.7 t0 -39.02 152.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.401 -179.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 66' ' ' GLU . . . . . 0.528 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 2.5 tt0 -91.49 -41.83 10.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.035 -179.212 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -104.04 -1.65 27.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.24 15.78 74.91 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 46.8 m -68.14 -18.03 64.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 110.486 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.32 -4.01 82.38 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 88.7 m -131.42 137.66 48.74 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.712 0.291 . . . . 0.0 110.482 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 73.2 t -117.08 128.04 74.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.736 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 73' ' ' ASP . . . . . 0.474 ' CG ' ' H ' ' C' ' 74' ' ' PHE . 35.3 t0 -104.95 -171.78 1.98 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.746 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 74' ' ' PHE . . . . . 0.474 ' H ' ' CG ' ' C' ' 73' ' ' ASP . 0.2 OUTLIER -59.56 -51.08 71.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.172 179.567 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -59.22 -50.52 73.71 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.761 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.23 -40.05 96.35 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.719 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -59.17 -48.66 80.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.869 0.366 . . . . 0.0 111.186 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -53.7 49.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.316 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 79' ' ' VAL . . . . . 0.425 HG23 ' N ' ' C' ' 80' ' ' MET . 34.4 m -72.87 -37.7 55.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.227 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 80' ' ' MET . . . . . 0.466 ' SD ' ' CG1' ' C' ' 64' ' ' VAL . 17.3 tmm? -61.37 -39.66 91.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.411 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 81' ' ' MET . . . . . 0.463 ' C ' ' SD ' ' C' ' 81' ' ' MET . 0.0 OUTLIER -50.55 -49.0 57.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.653 -178.843 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 73.0 t -69.6 -44.59 79.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.907 0.384 . . . . 0.0 110.958 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 83' ' ' ARG . . . . . 0.522 ' NH2' ' O ' ' C' ' 64' ' ' VAL . 23.2 ttp180 -62.56 -41.19 98.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 -179.278 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 84' ' ' 4J4 . . . . . 0.47 ' OAF' ' CAQ' ' C' ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 67.3 mtt -62.09 -38.5 89.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.831 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -58.36 -25.99 62.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.577 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -59.53 -48.67 80.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.352 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -67.51 -38.94 85.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.066 0.46 . . . . 0.0 110.399 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 47.4 t -60.13 -38.89 84.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.549 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -45.41 -24.98 0.36 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.476 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 91' ' ' ASN . . . . . 0.407 ' O ' ' CB ' ' C' ' 92' ' ' LEU . 59.6 t-20 -58.96 -39.32 81.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.551 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 92' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' C' ' 91' ' ' ASN . 2.0 tp 74.94 150.91 0.12 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.612 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 2.6 t80 71.99 101.77 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.308 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -88.24 127.63 35.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.461 -179.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -80.55 -16.19 54.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.736 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . 133.81 -42.87 1.32 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -126.61 109.09 11.73 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.804 0.335 . . . . 0.0 110.553 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -64.03 -43.98 93.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.878 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 44.6 t -128.08 128.62 69.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.229 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -62.77 -44.72 95.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.801 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 84.1 mt -104.61 129.16 57.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.57 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 67.8 m -61.75 151.33 34.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.705 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.06 78.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.509 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -58.73 -44.03 90.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.519 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.71 98.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.896 0.379 . . . . 0.0 110.671 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 93.4 mmm -63.23 -44.57 94.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.749 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 94.5 mtp -65.49 -42.56 92.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -66.17 -41.75 89.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.67 -40.65 95.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.75 -51.57 58.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.985 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 85.1 mt -65.04 -42.13 94.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.981 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . 63.76 25.91 69.48 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.77 -41.45 97.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.768 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -86.29 141.9 28.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.8 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -93.97 179.44 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.599 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -101.36 153.93 19.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.471 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 117' ' ' GLU . . . . . 0.522 ' OE1' ' N ' ' C' ' 117' ' ' GLU . 0.3 OUTLIER -119.62 76.33 1.13 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 121.437 0.637 . . . . 0.0 110.537 -179.249 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 71.1 m -66.62 -41.92 87.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.966 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 12.3 mt -96.98 -6.32 35.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.123 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 120' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' C' ' 121' ' ' LEU . 0.9 OUTLIER 45.81 -147.21 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.562 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 121' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' C' ' 120' ' ' ASP . 2.2 mp 50.9 176.55 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.62 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 40.78 36.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.664 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -139.91 -69.08 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.683 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -117.48 157.67 25.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.587 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.62 135.65 54.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.5 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.583 -179.928 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -117.9 118.98 33.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.267 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.96 -73.08 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.389 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -129.58 -12.55 4.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.656 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 53.86 22.07 3.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.65 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -100.7 -2.71 31.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.6 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -62.17 -39.75 98.07 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . -174.49 -175.76 42.3 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.85 -56.4 17.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.886 0.374 . . . . 0.0 110.573 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 47.7 t -145.88 70.3 13.5 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.485 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.86 130.31 39.67 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.635 2.224 . . . . 0.0 111.865 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' -2' ' ' ARG . . . . . 0.697 ' HE ' HH12 ' C' ' 83' ' ' ARG . 53.2 ttm-85 -70.17 -38.86 75.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.417 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . 108.29 -121.05 6.17 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 70.6 m -154.64 85.11 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.711 0.291 . . . . 0.0 110.685 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mtt -109.92 93.71 4.64 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.116 0.484 . . . . 0.0 110.107 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.01 -28.75 69.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.555 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -58.81 -46.38 87.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.486 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.29 -41.3 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.575 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.532 ' CE2' HG21 ' C' ' 79' ' ' VAL . 7.2 m-85 -58.89 -47.32 85.36 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.107 0.479 . . . . 0.0 110.591 -178.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -66.31 -39.74 89.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.262 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.58 88.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.656 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 8' ' ' ALA . . . . . 0.652 ' HB1' HG21 ' C' ' 82' ' ' VAL . . . -60.04 -41.58 92.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.167 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.461 ' O ' HD23 ' C' ' 12' ' ' LEU . 73.3 t -63.56 -41.26 92.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.25 0.548 . . . . 0.0 110.118 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -60.25 -35.43 75.47 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.441 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -91.25 10.16 28.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.55 -178.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.676 HD12 ' N ' ' C' ' 13' ' ' THR . 0.7 OUTLIER -67.27 152.29 45.99 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 179.618 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 13' ' ' THR . . . . . 0.676 ' N ' HD12 ' C' ' 12' ' ' LEU . 71.9 p -110.26 148.67 31.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.877 0.37 . . . . 0.0 110.607 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 14' ' ' GLU . . . . . 0.43 ' O ' ' OD1' ' C' ' 18' ' ' ASN . 98.8 mt-10 -68.18 -38.23 81.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.912 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -60.47 -45.25 94.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.502 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -68.3 -40.32 81.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.956 0.408 . . . . 0.0 110.393 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.9 -41.68 99.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 18' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' C' ' 14' ' ' GLU . 27.2 m120 -60.88 -42.31 97.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.802 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -45.8 86.84 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.001 0.429 . . . . 0.0 110.285 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.618 ' CD2' ' CZ ' ' C' ' 77' ' ' PHE . 87.4 t80 -62.79 -38.57 91.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.367 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -57.01 -46.53 82.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.409 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.88 -45.03 83.56 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.111 -0.635 . . . . 0.0 110.435 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.02 -24.97 67.65 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.033 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 24' ' ' PHE . . . . . 0.758 ' O ' HG22 ' C' ' 28' ' ' VAL . 85.4 t80 -55.69 -38.06 69.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.259 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -60.57 -44.06 96.61 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.607 -179.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 91.4 mt -72.39 -39.72 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.739 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 27' ' ' PHE . . . . . 0.467 ' O ' ' OE2' ' C' ' 40' ' ' GLU . 0.5 OUTLIER -61.21 -28.56 69.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 -179.436 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.758 HG22 ' O ' ' C' ' 24' ' ' PHE . 16.7 m -112.07 27.06 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 110.496 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 29' ' ' LEU . . . . . 0.522 HD13 ' N ' ' C' ' 30' ' ' GLY . 0.2 OUTLIER -63.96 115.96 5.38 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.356 -179.576 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 30' ' ' GLY . . . . . 0.522 ' N ' HD13 ' C' ' 29' ' ' LEU . . . 86.51 -3.18 87.27 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.3 96.51 10.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.177 0.513 . . . . 0.0 110.43 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -69.74 -16.92 63.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.363 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 33' ' ' ASP . . . . . 0.422 ' O ' ' OD1' ' C' ' 33' ' ' ASP . 48.4 t0 -65.44 -27.92 68.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.598 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.52 10.82 85.6 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.706 -0.957 . . . . 0.0 110.706 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 58.4 m -136.5 160.52 38.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.725 0.297 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 89.5 mt -86.85 114.9 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.361 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 85.5 p -109.48 -177.76 3.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.519 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.2 p -63.22 -37.4 87.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.206 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.2 -40.68 96.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.64 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.467 ' OE2' ' O ' ' C' ' 27' ' ' PHE . 37.4 tp10 -64.03 -43.84 94.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.453 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.12 -41.4 94.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.3 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.65 -39.32 96.42 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.481 -1.047 . . . . 0.0 110.481 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.77 -44.22 97.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.961 0.41 . . . . 0.0 110.263 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 68.4 t -62.22 -44.04 98.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.132 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 26.2 mmt -65.02 -35.35 80.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.107 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 49.1 ttm-85 -56.19 -47.59 78.04 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 72.6 mtm -65.03 -38.21 90.15 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.513 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.39 -12.26 5.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.588 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.69 9.06 61.66 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -109.63 148.37 31.45 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -128.51 71.88 80.49 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.094 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 52' ' ' PRO . . . . . 0.445 ' HG2' HD11 ' C' ' 57' ' ' LEU . 54.4 Cg_endo -73.84 150.47 44.27 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.668 2.245 . . . . 0.0 112.032 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 69.4 p -81.06 153.81 72.32 Favored Pre-proline 0 C--N 1.324 -0.542 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.517 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.47 -30.81 87.29 Favored 'Trans proline' 0 N--CA 1.498 1.74 0 C-N-CA 121.866 1.711 . . . . 0.0 112.367 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.78 -47.46 86.24 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.366 -178.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 56' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' C' ' 57' ' ' LEU . 4.9 pt-20 -72.41 -37.33 68.7 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.321 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 57' ' ' LEU . . . . . 0.445 HD11 ' HG2' ' C' ' 52' ' ' PRO . 85.6 mt -63.64 -42.11 98.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.753 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -65.67 -43.07 90.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.025 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -64.41 -41.37 96.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 26.3 ttt -62.79 -45.63 91.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.686 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 61' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' C' ' 65' ' ' ASP . 92.3 mt -65.6 -41.96 91.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.743 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -57.58 -43.51 84.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.5 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -62.99 -42.36 99.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.135 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 64' ' ' VAL . . . . . 0.441 ' O ' HG12 ' C' ' 64' ' ' VAL . 75.3 t -81.83 -12.84 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.792 -179.575 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' C' ' 69' ' ' SER . 52.3 t0 -61.97 137.55 58.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.276 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 66' ' ' GLU . . . . . 0.523 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 8.8 tm-20 -88.95 -40.27 13.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.164 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.76 -1.14 28.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.19 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 68' ' ' GLY . . . . . 0.522 ' H ' ' CG ' ' C' ' 65' ' ' ASP . . . 66.35 22.02 70.8 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 69' ' ' SER . . . . . 0.535 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 99.9 p -72.0 -12.66 61.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.693 0.282 . . . . 0.0 110.799 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.12 5.34 89.76 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 58.2 p -131.0 164.25 25.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.614 0.245 . . . . 0.0 110.586 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 47.0 t -120.11 117.51 53.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.876 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -104.21 -169.65 1.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.508 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 74' ' ' PHE . . . . . 0.467 ' CZ ' ' CE1' ' C' ' 24' ' ' PHE . 29.7 m-85 -59.26 -42.99 92.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.026 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.38 -45.16 94.41 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.979 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -71.04 -28.95 64.75 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 121.181 0.515 . . . . 0.0 110.65 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 77' ' ' PHE . . . . . 0.618 ' CZ ' ' CD2' ' C' ' 20' ' ' PHE . 0.0 OUTLIER -64.11 -39.44 94.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.434 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 78' ' ' LEU . . . . . 0.449 ' O ' HG22 ' C' ' 82' ' ' VAL . 18.1 mt -59.86 -45.47 92.34 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.481 -179.097 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 79' ' ' VAL . . . . . 0.532 HG21 ' CE2' ' C' ' 5' ' ' TYR . 0.8 OUTLIER -71.56 -30.09 37.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.14 -179.696 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 66.6 ttp -68.34 -42.21 79.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.981 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 6.3 tpt -63.99 -51.15 65.65 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.025 0.441 . . . . 0.0 111.1 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 82' ' ' VAL . . . . . 0.652 HG21 ' HB1' ' C' ' 8' ' ' ALA . 31.1 m -66.35 -30.84 51.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 83' ' ' ARG . . . . . 0.697 HH12 ' HE ' ' C' ' -2' ' ' ARG . 61.4 ttt85 -59.94 -45.17 93.48 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.036 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 84' ' ' 4J4 . . . . . 0.583 ' SG ' ' N ' ' C' ' 85' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 85' ' ' MET . . . . . 0.583 ' N ' ' SG ' ' C' ' 84' ' ' 4J4 . 34.8 mtt -62.8 -42.93 99.92 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.942 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.72 -40.4 96.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.811 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.87 -40.46 97.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.446 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.33 -39.52 94.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.443 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 70.7 m -61.3 -44.15 97.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -65.0 -42.8 94.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.951 0.405 . . . . 0.0 110.77 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 91' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -65.77 -23.63 66.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.695 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 24.0 tp -54.3 -36.21 63.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.731 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -62.92 -26.33 68.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.541 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -106.33 137.5 44.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.731 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 52.79 -161.08 0.11 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.405 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -103.06 -138.6 10.01 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -83.14 8.02 14.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.779 0.323 . . . . 0.0 110.261 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -52.84 123.53 11.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.269 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 99' ' ' VAL . . . . . 0.71 ' O ' HG22 ' C' ' 99' ' ' VAL . 14.8 p -173.37 25.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.478 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 5.4 tpp85 65.98 -78.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.392 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 87.3 mt -130.05 126.48 62.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.415 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 54.9 m -87.64 161.83 17.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.705 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.69 -41.18 94.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.5 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -62.17 -41.5 98.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.484 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.71 -41.02 98.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.633 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 106' ' ' MET . . . . . 0.434 ' C ' ' SD ' ' C' ' 106' ' ' MET . 15.2 tmm? -61.53 -44.71 96.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.544 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -47.59 81.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.348 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -62.41 -46.51 88.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.558 -179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.58 93.54 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.923 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.11 -47.81 72.94 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.63 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 111' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' C' ' 113' ' ' ALA . 43.0 tp -65.52 -45.14 84.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.381 -178.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . 61.36 -72.34 0.01 OUTLIER Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 113' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' C' ' 111' ' ' LEU . . . -63.3 164.36 9.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.379 . . . . 0.0 110.845 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -58.9 168.24 1.34 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.648 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -85.93 -170.95 3.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.382 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.45 154.16 6.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.89 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.43 112.89 24.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.709 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 72.4 m -61.26 -30.04 70.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.553 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 119' ' ' LEU . . . . . 0.451 ' O ' ' O ' ' C' ' 120' ' ' ASP . 37.0 mt -56.54 -34.69 67.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.468 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 120' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' C' ' 119' ' ' LEU . 92.1 m-20 -59.45 -125.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.818 0.342 . . . . 0.0 110.129 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 22.4 mt -70.16 142.45 52.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.841 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 12.4 mpt_? -69.23 145.13 53.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.369 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -116.58 149.09 40.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.645 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 55.3 m170 -81.73 79.72 8.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.339 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.33 129.01 37.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.556 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.64 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 39.5 m80 . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -68.91 145.49 53.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.371 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 44.0 m170 -98.76 5.74 47.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.556 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -103.87 132.61 49.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.483 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -127.82 100.01 5.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.414 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 46.05 -111.33 0.3 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.431 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . 67.29 36.89 90.32 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . -58.76 -31.34 67.48 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 11.8 mt 57.0 67.08 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.662 0.268 . . . . 0.0 110.767 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' -4' ' ' VAL . . . . . 0.694 ' O ' HG13 ' C' ' -4' ' ' VAL . 15.0 p -131.27 64.11 72.3 Favored Pre-proline 0 N--CA 1.454 -0.243 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.442 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -72.71 137.73 27.86 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.492 2.128 . . . . 0.0 112.297 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 13.0 mmp_? -91.18 -27.25 18.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.722 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . 156.61 -156.48 27.18 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 22.9 p -60.17 -162.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.985 0.421 . . . . 0.0 110.449 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.42 32.68 22.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.431 0.634 . . . . 0.0 110.681 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -58.46 -37.84 76.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.686 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -61.66 -45.34 94.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.861 0.362 . . . . 0.0 110.748 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 4' ' ' ILE . . . . . 0.417 HG22 ' N ' ' C' ' 5' ' ' TYR . 0.1 OUTLIER -64.43 -44.17 97.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.559 -0.456 . . . . 0.0 109.995 179.549 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.417 ' N ' HG22 ' C' ' 4' ' ' ILE . 60.1 t80 -60.51 -46.82 88.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.85 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -60.61 -39.11 86.95 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.57 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.05 -42.96 95.6 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.289 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.09 97.23 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.529 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.471 ' O ' ' O ' ' C' ' 12' ' ' LEU . 77.8 t -66.5 -40.95 87.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.009 0.433 . . . . 0.0 110.617 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -61.33 -29.41 69.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.984 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -91.74 -33.78 14.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.471 ' O ' ' O ' ' C' ' 9' ' ' VAL . 37.2 mt -100.29 142.64 31.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.084 0.468 . . . . 0.0 110.529 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 78.2 p -77.35 166.58 22.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.803 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -62.94 -36.21 82.68 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.086 0.47 . . . . 0.0 110.585 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.09 -44.06 95.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.164 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -63.61 -38.57 91.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.247 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.86 -47.18 68.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.009 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -61.94 -44.51 96.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -62.87 -38.3 90.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.378 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.427 ' CE2' HD13 ' C' ' 12' ' ' LEU . 5.1 m-85 -59.59 -42.71 93.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.748 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 21' ' ' LYS . . . . . 0.5 ' NZ ' ' CE1' ' C' ' 74' ' ' PHE . 9.2 mmtm -60.68 -48.18 82.93 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.728 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.75 -41.62 78.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.835 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.44 -45.21 95.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.852 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -61.3 -45.94 92.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.587 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -57.74 -40.41 79.59 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.588 0.555 . . . . 0.0 110.618 -179.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.43 -42.31 95.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.009 0.433 . . . . 0.0 110.6 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -58.83 -43.11 90.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.347 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 35.5 m -87.91 18.99 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.91 0.385 . . . . 0.0 110.603 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 tp -70.02 121.44 17.42 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.18 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.09 20.32 73.09 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.1 127.9 34.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.989 0.424 . . . . 0.0 110.455 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -79.83 -29.47 40.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.765 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -102.56 6.15 39.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.732 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.2 1.25 89.92 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 37.8 t -152.8 146.22 24.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 tt -53.5 141.2 8.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.497 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 49.6 m -123.23 176.55 6.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.727 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 38' ' ' THR . . . . . 0.419 HG23 ' N ' ' C' ' 39' ' ' LYS . 12.7 t -60.75 -36.68 79.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.758 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 39' ' ' LYS . . . . . 0.486 ' HG3' ' H ' ' C' ' 40' ' ' GLU . 0.0 OUTLIER -53.1 -48.46 67.77 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.213 0.53 . . . . 0.0 110.899 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.486 ' H ' ' HG3' ' C' ' 39' ' ' LYS . 98.7 mt-10 -65.29 -40.73 94.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.091 0.472 . . . . 0.0 110.514 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.49 -39.53 84.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.375 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.5 -39.83 96.91 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -60.94 -40.36 92.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.0 0.428 . . . . 0.0 110.041 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 76.6 t -68.07 -40.56 83.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.534 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 23.4 mmt -60.98 -36.47 79.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.655 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -52.43 -36.66 54.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.393 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 8.7 mtt -63.59 -27.18 69.07 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.575 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 86.0 mt -85.67 3.08 42.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.468 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.21 3.98 86.82 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -98.97 127.07 44.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 110.542 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -136.96 60.4 28.75 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.323 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -71.72 160.34 48.36 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.932 2.421 . . . . 0.0 112.411 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.34 155.6 35.35 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.417 -179.205 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.28 -33.1 97.84 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.489 2.126 . . . . 0.0 112.058 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.93 -41.12 91.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.02 0.438 . . . . 0.0 110.377 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.73 -39.43 93.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.437 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.05 -41.23 97.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.575 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -65.58 -41.09 93.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.613 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -62.59 -42.25 99.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.238 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 93.0 mmm -63.54 -41.4 98.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.16 0.505 . . . . 0.0 110.603 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 7.7 mm -64.85 -42.51 95.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.952 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -57.71 -43.96 85.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.136 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -65.15 -42.24 93.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.939 0.399 . . . . 0.0 110.592 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 64' ' ' VAL . . . . . 0.531 HG11 ' SD ' ' C' ' 80' ' ' MET . 75.5 t -70.03 -39.74 77.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.809 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 52.2 t0 -51.29 143.22 11.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.428 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 66' ' ' GLU . . . . . 0.539 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 22.3 mm-40 -89.77 -42.03 11.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.058 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 55.2 p30 -102.73 -0.69 31.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.012 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 68' ' ' GLY . . . . . 0.401 ' H ' ' CG ' ' C' ' 65' ' ' ASP . . . 66.33 24.0 71.96 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 69' ' ' SER . . . . . 0.528 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 99.2 p -64.08 -19.85 65.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.837 0.351 . . . . 0.0 110.697 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.58 -8.82 78.33 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 76.3 p -131.7 163.8 27.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.453 0.168 . . . . 0.0 110.555 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 72' ' ' VAL . . . . . 0.47 HG12 ' HB2' ' C' ' 77' ' ' PHE . 16.5 t -110.61 111.48 36.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.0 0.429 . . . . 0.0 110.149 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -87.54 -178.48 6.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.596 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 74' ' ' PHE . . . . . 0.5 ' CE1' ' NZ ' ' C' ' 21' ' ' LYS . 47.7 t80 -58.61 -49.6 76.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.153 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -65.09 -48.54 73.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.97 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -63.62 -41.05 98.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.484 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 77' ' ' PHE . . . . . 0.47 ' HB2' HG12 ' C' ' 72' ' ' VAL . 19.5 t80 -60.04 -49.11 78.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.059 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.29 -46.14 91.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.999 0.428 . . . . 0.0 110.225 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 56.2 t -66.19 -40.47 87.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.397 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 80' ' ' MET . . . . . 0.531 ' SD ' HG11 ' C' ' 64' ' ' VAL . 61.9 ttp -57.26 -48.19 79.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.122 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 27.6 ttt -62.2 -44.31 96.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.867 0.365 . . . . 0.0 110.354 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 64.8 t -63.67 -43.28 98.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.618 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.8 -47.54 85.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.701 -179.043 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 55.1 ttm -61.05 -44.98 96.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.351 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.85 -39.99 87.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.83 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.51 -42.81 97.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.264 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -65.94 -41.36 91.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.523 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 74.2 m -66.69 -42.5 86.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.815 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -63.66 -43.08 97.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.314 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 91' ' ' ASN . . . . . 0.521 ' CG ' ' H ' ' C' ' 92' ' ' LEU . 53.3 t30 -105.6 -158.93 0.68 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.289 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 92' ' ' LEU . . . . . 0.521 ' H ' ' CG ' ' C' ' 91' ' ' ASN . 0.4 OUTLIER 48.49 78.39 0.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.102 0.477 . . . . 0.0 110.471 179.631 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -58.2 -15.44 9.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.35 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -83.64 100.72 11.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.933 0.397 . . . . 0.0 110.383 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -70.67 -20.09 62.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.382 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.01 -46.53 94.39 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.351 -0.699 . . . . 0.0 111.351 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 97' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' C' ' 99' ' ' VAL . 45.5 mtp180 -84.43 -35.77 22.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.584 0.23 . . . . 0.0 110.802 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -41.35 96.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.392 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 99' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' C' ' 97' ' ' ARG . 10.9 t 45.91 64.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.534 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -58.33 -23.11 55.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.33 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 101' ' ' ILE . . . . . 0.507 HG23 ' O ' ' C' ' 101' ' ' ILE . 10.5 tt -129.16 124.3 60.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.06 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 67.9 m -65.24 149.35 50.1 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.501 0.667 . . . . 0.0 111.083 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.21 -36.04 78.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.299 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -58.56 -41.62 86.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.004 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.46 -40.46 97.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.218 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 78.7 mtp -62.85 -43.85 97.7 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.566 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 51.7 tpp -68.77 -32.59 72.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.328 0.585 . . . . 0.0 109.967 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 108' ' ' GLN . . . . . 0.632 ' O ' ' N ' ' C' ' 112' ' ' GLY . 37.9 tp60 -59.59 -50.33 74.29 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.858 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.61 -38.98 92.31 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.849 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.81 -37.43 67.54 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.709 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.18 -51.92 2.41 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.021 0.439 . . . . 0.0 111.361 -179.201 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 112' ' ' GLY . . . . . 0.632 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . 73.95 -55.42 2.22 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . 52.16 175.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.857 0.361 . . . . 0.0 110.9 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -138.59 162.18 35.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.363 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.63 135.85 54.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.277 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -138.17 -55.77 0.65 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.928 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -62.61 -39.65 94.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.425 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 74.2 m -62.41 -41.72 98.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.691 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.65 -41.08 98.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.817 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -104.14 87.82 2.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.251 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 121' ' ' LEU . . . . . 0.407 ' CG ' ' H ' ' C' ' 122' ' ' ARG . 3.4 tp -145.74 -144.17 0.15 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.457 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 122' ' ' ARG . . . . . 0.407 ' H ' ' CG ' ' C' ' 121' ' ' LEU . 5.5 tpt180 -117.4 136.26 53.3 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.722 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.1 -41.07 97.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.053 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -60.1 141.96 54.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.824 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 9.2 mp -70.16 127.16 31.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.266 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.448 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 61.72 37.44 15.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.496 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -146.43 -46.41 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.634 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -86.99 131.67 34.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.785 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -100.84 -4.76 27.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.492 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -94.69 152.17 18.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.511 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . 70.43 32.85 67.98 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . -55.83 147.66 29.06 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 87.7 mt -114.68 148.57 38.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.724 0.297 . . . . 0.0 110.451 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 17.9 t -115.62 95.36 43.26 Favored Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.808 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -75.19 172.66 15.92 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 122.753 2.302 . . . . 0.0 112.514 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 34.5 ttt-85 -57.71 -38.43 75.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.09 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . 109.68 158.05 17.4 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 58.0 m -157.51 -107.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.911 0.386 . . . . 0.0 110.442 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -41.27 95.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.428 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.85 -39.2 91.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.735 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -61.85 -43.3 99.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 85.2 mt -61.15 -45.51 98.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.231 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -63.63 -41.39 98.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.688 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -63.33 -42.31 98.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.72 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.73 -40.82 97.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.757 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.72 -42.19 98.62 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.949 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.445 ' O ' ' O ' ' C' ' 12' ' ' LEU . 56.4 t -64.16 -41.65 93.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.688 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -61.71 -40.25 94.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.979 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -85.11 -38.38 19.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.416 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.445 ' O ' ' O ' ' C' ' 9' ' ' VAL . 44.4 mt -114.8 142.25 46.79 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.983 0.42 . . . . 0.0 110.633 -179.351 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 63.0 p -80.12 167.03 20.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.406 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -60.05 -37.03 78.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.773 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -62.24 -42.56 99.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.54 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 16' ' ' GLN . . . . . 0.483 ' N ' ' OE1' ' C' ' 16' ' ' GLN . 0.0 OUTLIER -68.18 -39.62 82.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.669 179.669 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -59.05 -44.87 91.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.463 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -59.83 -44.86 93.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.45 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.65 -39.94 95.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.732 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -64.17 -40.4 96.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.037 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -61.01 -42.76 99.08 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.711 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.19 -39.69 86.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.768 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.16 -33.12 71.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.856 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 24' ' ' PHE . . . . . 0.771 ' O ' HG23 ' C' ' 28' ' ' VAL . 86.3 t80 -55.16 -38.46 68.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.4 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.79 -40.63 93.33 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.048 0.451 . . . . 0.0 110.822 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 26' ' ' ILE . . . . . 0.47 ' O ' HD23 ' C' ' 29' ' ' LEU . 93.4 mt -61.26 -44.72 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.251 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 27' ' ' PHE . . . . . 0.401 ' HB3' HD12 ' C' ' 36' ' ' ILE . 32.7 m-85 -68.82 -27.65 66.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.771 HG23 ' O ' ' C' ' 24' ' ' PHE . 77.9 t -70.84 -25.75 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.797 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 29' ' ' LEU . . . . . 0.676 ' C ' HD12 ' C' ' 29' ' ' LEU . 0.7 OUTLIER -61.14 143.52 55.34 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.142 0.496 . . . . 0.0 110.624 179.467 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 30' ' ' GLY . . . . . 0.483 ' N ' HD12 ' C' ' 29' ' ' LEU . . . 78.79 -0.94 75.65 Favored Glycine 0 CA--C 1.519 0.299 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.94 97.2 5.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.974 0.416 . . . . 0.0 110.561 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 32' ' ' GLU . . . . . 0.426 ' N ' ' CD ' ' C' ' 32' ' ' GLU . 1.0 OUTLIER -68.36 -25.3 65.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.587 179.546 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -65.03 -21.02 66.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.478 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.3 9.72 81.41 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 47.5 t -139.92 149.07 42.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.899 0.38 . . . . 0.0 110.331 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.577 ' N ' HD13 ' C' ' 36' ' ' ILE . 1.3 mm -63.57 113.3 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.051 -178.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 59.8 p -87.27 173.14 9.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.719 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 53.3 p -64.94 -35.28 80.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.517 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -63.69 -41.92 98.08 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.087 0.47 . . . . 0.0 110.559 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -61.49 -43.49 98.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.652 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.68 -38.67 82.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.412 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.49 -44.73 96.48 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -66.1 -40.25 90.59 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.299 0.571 . . . . 0.0 110.452 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.06 -41.77 94.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.361 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.4 mmt -60.57 -41.21 94.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.7 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -59.18 -41.42 88.44 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.328 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 25.3 mtm -62.77 -38.2 89.67 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.066 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.91 -8.49 44.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.597 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.2 5.83 72.3 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -118.35 154.01 33.07 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.942 0.401 . . . . 0.0 110.295 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 51' ' ' ASN . . . . . 0.482 ' O ' ' ND2' ' C' ' 51' ' ' ASN . 0.8 OUTLIER -140.22 72.08 32.96 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.874 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -63.51 151.14 86.42 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 123.259 2.639 . . . . 0.0 111.955 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 60.7 p -64.2 151.01 91.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.898 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 54' ' ' PRO . . . . . 0.487 ' HA ' HD21 ' C' ' 57' ' ' LEU . 58.7 Cg_exo -49.52 -36.57 40.22 Favored 'Trans proline' 0 N--CA 1.5 1.895 0 C-N-CA 122.387 2.058 . . . . 0.0 112.3 179.032 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -69.85 -38.39 76.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.073 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -61.04 -50.73 72.13 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 57' ' ' LEU . . . . . 0.487 HD21 ' HA ' ' C' ' 54' ' ' PRO . 2.8 pp -71.68 -40.07 69.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.08 0.467 . . . . 0.0 110.657 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 58' ' ' GLN . . . . . 0.487 ' N ' HD12 ' C' ' 57' ' ' LEU . 53.0 tt0 -61.35 -43.4 98.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.269 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -64.01 -41.53 97.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.541 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 60' ' ' MET . . . . . 0.531 ' O ' HG22 ' C' ' 64' ' ' VAL . 2.4 ttt -59.63 -45.46 91.9 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.487 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.22 -40.59 89.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.268 0.556 . . . . 0.0 110.458 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -64.94 -42.36 94.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.911 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.86 -46.67 83.96 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.945 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 64' ' ' VAL . . . . . 0.531 HG22 ' O ' ' C' ' 60' ' ' MET . 33.9 m -74.3 -20.47 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.744 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.505 ' OD2' ' N ' ' C' ' 70' ' ' GLY . 6.2 t0 -43.37 124.76 3.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.887 0.375 . . . . 0.0 110.247 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -84.78 -51.4 6.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.163 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 59.6 p30 -94.59 -0.76 54.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.905 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.24 16.92 69.61 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 97.4 p -70.18 -16.87 63.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.849 0.357 . . . . 0.0 110.86 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 70' ' ' GLY . . . . . 0.505 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 92.98 -4.51 74.99 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 68.8 p -132.66 166.26 22.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.735 0.302 . . . . 0.0 110.593 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 12.7 m -113.8 115.92 51.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.328 0.585 . . . . 0.0 110.844 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -74.59 -173.55 1.82 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.415 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -58.99 -46.26 88.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.435 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -65.65 -41.05 93.02 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.489 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.41 -39.42 94.44 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.418 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -60.64 -48.83 80.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.92 0.39 . . . . 0.0 111.153 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 4.4 tp -59.41 -62.06 2.16 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.296 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 15.0 p -53.74 -34.02 24.04 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.392 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 49.6 mmm -63.01 -40.7 98.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.625 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -56.34 17.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.105 0.478 . . . . 0.0 111.317 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 28.1 m -61.64 -29.69 46.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.153 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 80.1 ttt-85 -60.83 -45.14 95.62 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.272 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.42 -38.64 91.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.708 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -61.95 -42.58 99.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.29 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.17 -40.65 90.69 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.279 0.562 . . . . 0.0 110.599 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -62.39 -40.84 97.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.044 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 89.2 p -66.82 -27.35 67.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.748 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -62.19 -48.32 80.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.144 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 91' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -80.9 -24.11 38.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 2.3 tp 62.12 165.41 0.1 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.531 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 93' ' ' TYR . . . . . 0.406 ' O ' ' C ' ' C' ' 94' ' ' PHE . 0.5 OUTLIER -54.89 -36.8 65.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.682 179.365 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 94' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' C' ' 93' ' ' TYR . 0.2 OUTLIER -39.0 -37.5 0.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.516 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -136.07 114.53 11.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.326 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -133.29 110.29 0.89 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -123.44 20.23 9.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.877 0.37 . . . . 0.0 110.715 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 98' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' C' ' 99' ' ' VAL . 0.7 OUTLIER -124.13 129.54 51.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.25 179.841 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 99' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' C' ' 98' ' ' ARG . 33.8 m 35.71 -155.82 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 123.523 0.514 . . . . 0.0 110.749 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -153.69 -12.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.458 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 27.5 mm -104.81 116.61 48.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.099 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 37.1 t -71.13 143.93 50.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.803 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.6 -38.47 91.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.748 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -57.63 -45.2 85.72 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.938 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.22 -40.24 95.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.832 0.349 . . . . 0.0 110.351 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 52.1 ttm -60.14 -46.18 90.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.015 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 11.0 ttm -60.09 -45.47 92.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -61.62 -45.01 95.88 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.695 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.55 -40.19 95.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.966 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.91 -48.88 79.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.664 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 2.0 tt -78.33 -32.83 49.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.821 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 112' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' C' ' 113' ' ' ALA . . . -59.74 -42.6 98.05 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -178.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 113' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' C' ' 112' ' ' GLY . . . 37.1 -114.44 0.11 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.751 0.31 . . . . 0.0 110.418 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -111.06 -2.43 15.89 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.71 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . 46.17 -170.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.392 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 116' ' ' LYS . . . . . 0.558 ' N ' ' CD ' ' C' ' 116' ' ' LYS . 0.0 OUTLIER -129.74 136.99 50.31 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.336 -179.671 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -138.3 17.86 2.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.548 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 66.8 m -83.88 -44.32 14.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.037 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 63.4 mt -113.79 -34.38 5.49 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 30.4 t0 58.91 51.05 7.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.512 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.62 168.22 3.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.615 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -64.08 149.05 48.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.237 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 123' ' ' ALA . . . . . 0.54 ' O ' ' ND1' ' C' ' 124' ' ' HIS . . . -72.24 167.47 20.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.471 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 124' ' ' HIS . . . . . 0.54 ' ND1' ' O ' ' C' ' 123' ' ' ALA . 56.8 p-80 41.94 -165.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.652 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.07 171.86 15.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.483 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.489 179.945 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 48.3 m80 49.21 -176.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.668 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -79.54 153.59 29.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.609 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -70.21 175.14 4.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.293 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' -9' ' ' HIS . . . . . 0.518 ' C ' ' H ' ' C' ' -7' ' ' GLY . 1.1 t-80 -78.32 -169.54 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.434 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 69.75 -37.28 0.37 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.574 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' -7' ' ' GLY . . . . . 0.518 ' H ' ' C ' ' C' ' -9' ' ' HIS . . . -62.26 -43.72 98.7 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.106 -0.797 . . . . 0.0 111.106 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . 86.46 160.75 34.83 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -98.52 93.03 5.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.841 0.353 . . . . 0.0 110.523 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' -4' ' ' VAL . . . . . 0.705 ' O ' HG13 ' C' ' -4' ' ' VAL . 14.5 p -135.16 67.53 68.79 Favored Pre-proline 0 C--O 1.233 0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.7 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -69.29 145.59 60.37 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.74 2.293 . . . . 0.0 111.746 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -76.92 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.601 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' -1' ' ' GLY . . . . . 0.408 ' O ' ' CB ' ' C' ' 0' ' ' SER . . . 60.57 -134.5 49.84 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 0' ' ' SER . . . . . 0.41 ' H ' ' H ' ' C' ' 1' ' ' MET . 0.2 OUTLIER 167.51 3.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.777 0.322 . . . . 0.0 110.509 -179.748 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.41 ' H ' ' H ' ' C' ' 0' ' ' SER . 35.2 mmt -62.32 -41.32 98.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.523 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.13 -39.57 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.949 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -60.9 -45.21 95.53 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.635 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.47 -44.5 98.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.483 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -59.9 -47.22 86.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.72 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -59.74 -40.98 89.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.026 0.441 . . . . 0.0 110.712 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.17 -39.29 89.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.657 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.66 -49.94 74.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.156 -178.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.24 -34.21 68.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -61.74 -39.57 92.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.478 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -86.5 -40.28 15.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.673 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt -80.03 150.29 30.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.635 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 68.7 p -102.46 170.41 8.07 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.601 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.47 -36.43 75.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.285 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -59.89 -40.13 87.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.58 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -62.95 -42.57 99.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.513 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 5.4 tptm -62.88 -42.43 99.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.485 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -60.03 -39.67 86.7 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.242 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 19' ' ' GLU . . . . . 0.544 ' OE1' ' N ' ' C' ' 19' ' ' GLU . 0.0 OUTLIER -59.66 -48.07 83.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.668 179.857 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -71.08 -27.05 63.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.578 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -60.07 -42.07 93.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.337 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.87 -43.2 94.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.613 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.15 -38.76 91.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.733 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -57.4 -39.65 76.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.541 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -60.66 -38.93 86.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.161 0.505 . . . . 0.0 110.396 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -72.28 -39.43 63.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.242 0.544 . . . . 0.0 110.81 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 27' ' ' PHE . . . . . 0.498 ' C ' ' H ' ' C' ' 29' ' ' LEU . 2.4 m-85 -56.5 -41.71 77.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.993 -178.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.416 HG11 ' O ' ' C' ' 34' ' ' GLY . 27.3 m -73.4 28.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 29' ' ' LEU . . . . . 0.649 ' O ' HD12 ' C' ' 29' ' ' LEU . 3.4 pp -51.76 128.78 24.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.394 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.38 -6.06 58.4 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -108.7 99.56 8.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.811 0.338 . . . . 0.0 110.54 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -70.91 -27.38 63.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.395 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -65.45 -26.83 68.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.522 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 34' ' ' GLY . . . . . 0.416 ' O ' HG11 ' C' ' 28' ' ' VAL . . . 95.15 6.32 60.23 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 56.0 m -96.76 148.97 22.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 110.499 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 89.8 mt -103.74 119.72 52.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 37' ' ' SER . . . . . 0.423 ' OG ' ' OE1' ' C' ' 40' ' ' GLU . 83.1 p -83.3 167.28 17.76 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.547 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 81.1 p -64.04 -30.62 71.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.293 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.19 -42.27 99.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.442 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.423 ' OE1' ' OG ' ' C' ' 37' ' ' SER . 2.4 mp0 -63.8 -46.82 83.42 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.733 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 41' ' ' LEU . . . . . 0.42 HD21 ' CAL' ' C' ' 84' ' ' 4J4 . 6.5 mt -63.2 -38.67 92.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.833 179.052 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.26 -40.72 97.75 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.85 -41.05 97.88 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.73 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 80.5 t -62.63 -48.64 87.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.077 0.465 . . . . 0.0 110.455 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 45' ' ' MET . . . . . 0.565 ' CE ' HD21 ' C' ' 57' ' ' LEU . 66.1 mtm -64.23 -40.12 95.39 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.057 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 11.8 mtm180 -53.67 -45.07 70.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.491 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 78.5 mtm -66.21 -32.72 74.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.348 178.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 8.0 tp -57.28 -21.98 38.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.392 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.89 9.99 41.35 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -107.15 173.7 6.21 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.268 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -113.76 96.65 41.73 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -78.03 154.46 29.39 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 C-N-CA 122.856 2.371 . . . . 0.0 112.077 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.22 124.9 21.59 Favored Pre-proline 0 N--CA 1.448 -0.564 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.305 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -49.95 -35.45 40.77 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.637 2.224 . . . . 0.0 111.895 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -67.66 -47.21 70.19 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.848 0.356 . . . . 0.0 110.644 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -68.66 -39.3 80.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.603 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 57' ' ' LEU . . . . . 0.565 HD21 ' CE ' ' C' ' 45' ' ' MET . 5.7 mt -59.58 -48.34 82.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? -63.74 -42.11 97.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.691 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -65.16 -44.19 89.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.412 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 16.6 tpt -63.73 -44.79 92.51 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.5 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 82.3 mt -62.94 -39.05 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.442 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -57.37 -44.47 84.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.407 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.18 -41.36 97.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.575 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 69.9 t -71.25 -38.81 71.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.348 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.429 ' OD2' ' N ' ' C' ' 70' ' ' GLY . 0.1 OUTLIER -38.71 105.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.101 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -89.0 -42.46 11.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.523 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.1 p30 -93.63 -1.06 55.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.831 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.73 19.55 69.43 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 96.6 p -67.03 -20.87 65.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.348 . . . . 0.0 110.626 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 70' ' ' GLY . . . . . 0.429 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 92.24 -5.59 78.18 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 71' ' ' THR . . . . . 0.427 ' O ' ' OE1' ' C' ' 76' ' ' GLU . 80.7 p -131.61 165.54 23.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.751 0.31 . . . . 0.0 110.723 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 3.5 m -87.62 104.05 14.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.644 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.44 -173.52 3.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.525 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -59.82 -46.91 87.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.803 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 75' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 30.3 p-10 -69.89 -44.95 68.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.721 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.45 ' N ' ' OD1' ' C' ' 75' ' ' ASP . 98.6 mt-10 -63.02 -38.88 92.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.597 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -60.04 -45.55 92.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 78' ' ' LEU . . . . . 0.837 ' O ' HG23 ' C' ' 82' ' ' VAL . 6.7 tp -58.62 -43.15 89.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.555 -179.065 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.21 -42.46 90.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.746 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 24.4 tpp -58.32 -42.98 87.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.193 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 9.9 ttt -77.5 -28.77 52.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.828 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 82' ' ' VAL . . . . . 0.837 HG23 ' O ' ' C' ' 78' ' ' LEU . 51.6 t -60.12 -47.29 92.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.177 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 83' ' ' ARG . . . . . 0.416 ' HG2' ' H ' ' C' ' 83' ' ' ARG . 5.1 ptm85 -62.03 -35.49 78.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.03 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 84' ' ' 4J4 . . . . . 0.42 ' CAL' HD21 ' C' ' 41' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 78.5 mtm -63.17 -38.04 89.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.614 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -59.15 -46.86 87.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.294 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -67.74 -36.87 81.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.132 0.491 . . . . 0.0 110.354 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -59.91 -34.4 73.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.569 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 44.0 t -57.97 -44.79 87.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.463 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 90' ' ' GLU . . . . . 0.599 ' O ' ' ND2' ' C' ' 91' ' ' ASN . 76.2 mm-40 -67.44 -35.73 79.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.372 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 91' ' ' ASN . . . . . 0.599 ' ND2' ' O ' ' C' ' 90' ' ' GLU . 0.6 OUTLIER 39.64 90.8 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.676 -179.853 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.67 158.68 35.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.643 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -84.9 -168.21 2.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.551 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 56.84 -105.89 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.842 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -106.32 33.56 3.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.628 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.75 -105.22 0.3 Allowed Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 97' ' ' ARG . . . . . 0.444 ' CG ' ' H ' ' C' ' 98' ' ' ARG . 12.6 ttm180 -64.2 -132.08 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.745 0.307 . . . . 0.0 110.549 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 98' ' ' ARG . . . . . 0.444 ' H ' ' CG ' ' C' ' 97' ' ' ARG . 68.7 ttp85 59.22 83.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.762 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 99' ' ' VAL . . . . . 0.471 HG22 ' H ' ' C' ' 101' ' ' ILE . 13.7 p -117.32 143.89 26.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.38 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 92.2 mtm-85 -62.51 -41.28 98.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.523 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 101' ' ' ILE . . . . . 0.471 ' H ' HG22 ' C' ' 99' ' ' VAL . 77.3 mt -115.09 118.08 57.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.557 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 85.5 p -83.39 169.56 15.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.657 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.22 98.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.474 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -64.91 -42.18 94.95 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.512 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.29 -39.34 90.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.532 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 106' ' ' MET . . . . . 0.401 ' SD ' ' C ' ' C' ' 106' ' ' MET . 15.3 tmm? -60.97 -46.0 92.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.672 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 98.1 mtp -62.81 -41.51 99.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.761 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -63.06 -45.4 92.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.623 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.84 -40.01 91.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.746 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 6.7 tp -61.03 -44.83 96.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.461 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 12.2 tp -64.71 -41.54 95.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.341 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.48 158.35 32.64 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -115.17 125.56 53.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.728 0.299 . . . . 0.0 110.501 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 55.99 -160.88 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.379 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.21 83.02 2.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.575 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 6.6 tptm -146.58 146.92 30.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.497 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 117' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' C' ' 120' ' ' ASP . 97.7 mt-10 -91.88 112.65 24.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.639 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 72.2 m -60.27 -37.79 81.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.441 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 7.2 mp -43.88 -35.28 1.91 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.533 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 120' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' C' ' 117' ' ' GLU . 0.2 OUTLIER -129.01 152.7 48.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.389 179.716 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 121' ' ' LEU . . . . . 0.574 HD23 ' N ' ' C' ' 121' ' ' LEU . 0.1 OUTLIER -123.07 -21.49 5.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.403 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -61.09 -42.92 99.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.798 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . 179.07 145.11 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.508 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 30.6 p80 -70.42 -23.48 62.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.696 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 4.2 tp 62.85 127.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.422 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 60.6 tttm . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.532 -179.881 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -64.65 141.06 58.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.318 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -126.86 124.03 38.66 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.526 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -82.49 155.94 24.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.391 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -72.47 153.29 41.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.709 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -146.89 144.17 29.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.523 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -91.44 -124.38 3.13 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . 107.93 7.27 31.47 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 4.3 mp 58.05 98.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.758 0.313 . . . . 0.0 110.718 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 14.8 t -135.6 63.98 55.97 Favored Pre-proline 0 C--O 1.234 0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.549 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -74.46 54.3 3.33 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.756 2.304 . . . . 0.0 111.964 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -160.0 -13.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.555 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . -68.42 151.51 51.76 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 13.3 t -110.27 -141.92 0.38 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.711 0.291 . . . . 0.0 110.407 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.53 ' HB2' HD12 ' C' ' 4' ' ' ILE . 21.2 ptp -111.23 57.2 0.63 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.294 0.569 . . . . 0.0 110.688 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -57.41 -35.15 69.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.498 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -58.19 -47.29 83.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.89 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 4' ' ' ILE . . . . . 0.53 HD12 ' HB2' ' C' ' 1' ' ' MET . 84.8 mt -62.51 -42.87 97.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.573 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -61.56 -41.12 96.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.864 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 46.5 mmtt -61.4 -41.82 97.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.118 0.485 . . . . 0.0 110.671 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.35 94.09 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.945 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.5 -52.0 67.49 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.289 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.72 -33.43 63.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.166 0.508 . . . . 0.0 110.326 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.16 -32.09 67.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -82.1 6.42 16.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.059 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.699 ' C ' HD12 ' C' ' 12' ' ' LEU . 4.3 pp -50.49 169.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.442 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 75.7 p -119.2 156.13 30.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.31 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.05 -39.54 92.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.488 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -61.3 -43.83 98.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.164 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -64.62 -41.02 96.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.598 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -61.11 -44.32 97.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.828 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -60.28 -44.12 95.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.63 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.52 -43.92 95.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.422 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -65.63 -37.0 85.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.556 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -60.33 -45.2 94.28 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.697 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.1 -45.66 87.65 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.41 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 23' ' ' ALA . . . . . 0.485 ' O ' HG13 ' C' ' 26' ' ' ILE . . . -65.29 -35.85 82.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.487 0.661 . . . . 0.0 110.036 179.182 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 24' ' ' PHE . . . . . 0.692 ' O ' HG23 ' C' ' 28' ' ' VAL . 60.0 t80 -70.02 -38.86 76.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.775 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -60.0 -51.2 70.66 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.973 0.416 . . . . 0.0 111.482 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 26' ' ' ILE . . . . . 0.485 HG13 ' O ' ' C' ' 23' ' ' ALA . 1.2 pt -64.82 -33.37 62.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.172 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -30.26 65.41 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 120.771 0.319 . . . . 0.0 110.73 179.136 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.692 HG23 ' O ' ' C' ' 24' ' ' PHE . 53.5 t -74.43 -25.82 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt -50.95 130.34 25.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.698 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.55 -10.59 64.87 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.01 135.94 33.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 110.66 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -80.21 -37.8 32.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -88.75 -7.42 56.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.83 4.57 90.28 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 41.5 m -112.28 155.85 23.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.821 0.344 . . . . 0.0 110.483 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 83.3 mt -62.5 123.07 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.349 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 25.4 m -124.68 179.52 4.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.692 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.7 p -64.89 -28.5 69.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.642 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -61.18 -50.58 72.56 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -66.9 -40.19 87.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.583 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 41' ' ' LEU . . . . . 0.567 HD22 ' CE ' ' C' ' 45' ' ' MET . 2.9 mt -63.71 -42.01 98.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.201 0.524 . . . . 0.0 110.641 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.93 -41.61 99.67 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -59.18 -50.69 73.06 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.568 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 6.3 p -67.27 -37.26 78.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.822 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 45' ' ' MET . . . . . 0.567 ' CE ' HD22 ' C' ' 41' ' ' LEU . 49.5 mtt -61.03 -47.29 87.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.94 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 35.1 mtm180 -65.25 -38.49 90.51 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.747 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 47' ' ' MET . . . . . 0.522 ' C ' ' H ' ' C' ' 49' ' ' GLY . 62.4 ttp -58.56 -37.9 76.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.51 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 22.9 mt -67.11 13.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 49' ' ' GLY . . . . . 0.522 ' H ' ' C ' ' C' ' 47' ' ' MET . . . 74.84 42.2 31.6 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -126.14 164.08 21.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.95 0.405 . . . . 0.0 110.523 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -141.23 61.74 14.62 Favored Pre-proline 0 C--N 1.326 -0.421 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.712 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.05 152.51 28.03 Favored 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.795 2.33 . . . . 0.0 112.311 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.77 155.62 75.54 Favored Pre-proline 0 C--N 1.324 -0.503 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -50.26 -43.45 43.35 Favored 'Trans proline' 0 N--CA 1.498 1.767 0 C-N-CA 122.14 1.893 . . . . 0.0 112.181 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -72.63 -33.94 66.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.076 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -58.85 -55.06 40.02 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.426 -178.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.56 -35.93 79.97 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.201 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -58.65 -40.3 83.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.995 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -70.97 -38.08 72.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.435 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 96.5 mtp -60.68 -46.05 91.83 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 61' ' ' ILE . . . . . 0.559 HD12 HD12 ' C' ' 41' ' ' LEU . 13.7 tt -68.12 -34.0 64.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.253 179.26 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -60.78 -47.85 84.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.621 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.14 -42.76 83.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.637 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 64' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' C' ' 65' ' ' ASP . 55.1 t -62.85 -38.74 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.551 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' C' ' 68' ' ' GLY . 11.0 t0 -34.92 146.04 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 O-C-N 123.595 0.559 . . . . 0.0 110.646 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 66' ' ' GLU . . . . . 0.647 ' OE2' HG11 ' C' ' 79' ' ' VAL . 17.5 tt0 -82.02 -51.22 8.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.488 -178.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 56.2 p30 -102.89 4.75 37.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.087 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 68' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' C' ' 65' ' ' ASP . . . 71.82 19.27 78.04 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 99.4 p -69.07 -16.43 63.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.714 0.293 . . . . 0.0 110.652 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 70' ' ' GLY . . . . . 0.425 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 83.42 1.32 90.27 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 11.6 m -139.37 140.4 37.45 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 96.3 t -104.6 123.31 58.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.532 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 73' ' ' ASP . . . . . 0.426 ' H ' ' HB3' ' C' ' 76' ' ' GLU . 87.5 m-20 -97.34 175.98 6.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.769 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -58.36 -49.93 75.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.605 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 75' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 36.5 p-10 -64.86 -42.46 94.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.584 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.494 ' N ' ' OD1' ' C' ' 75' ' ' ASP . 87.4 tt0 -64.87 -36.42 84.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.495 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -58.88 -47.78 83.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.379 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 6.9 mp -60.48 -47.26 86.92 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.741 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 79' ' ' VAL . . . . . 0.647 HG11 ' OE2' ' C' ' 66' ' ' GLU . 53.5 t -62.76 -44.67 99.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.088 0.47 . . . . 0.0 110.249 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 80' ' ' MET . . . . . 0.415 ' C ' ' SD ' ' C' ' 80' ' ' MET . 18.5 tmm? -60.77 -42.87 98.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.642 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -60.99 2.59 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.692 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 27.0 m -60.58 -28.13 41.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.027 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 83' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' C' ' 87' ' ' ASP . 18.3 ttp180 -61.88 -40.46 95.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.453 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 32.2 mtm -67.24 -42.54 83.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.35 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -69.72 -19.36 63.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.106 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 87' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' C' ' 83' ' ' ARG . 0.0 OUTLIER -55.88 -29.01 59.29 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 88' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' C' ' 92' ' ' LEU . 95.6 m-20 -70.4 -40.09 74.11 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.989 0.424 . . . . 0.0 110.749 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 99.2 p -68.8 -26.03 64.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.004 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.14 -42.97 99.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.994 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 91' ' ' ASN . . . . . 0.444 ' O ' ' O ' ' C' ' 92' ' ' LEU . 16.9 p-10 -116.16 5.2 13.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.476 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 92' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' C' ' 88' ' ' ASP . 16.4 mt 46.99 -177.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.677 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 67.39 124.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.655 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -74.11 160.06 31.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.771 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 95' ' ' GLN . . . . . 0.403 ' NE2' ' OD1' ' C' ' 88' ' ' ASP . 11.6 pm0 -136.15 -166.11 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.704 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.2 157.26 4.79 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 97' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' C' ' 99' ' ' VAL . 7.6 tpt180 -50.38 -54.17 23.71 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.574 -178.583 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 65.34 -55.94 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 99' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' C' ' 97' ' ' ARG . 3.1 m -89.95 133.76 30.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.588 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -109.93 -16.05 13.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.647 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 30.0 pt -122.06 148.94 25.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.684 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 75.7 m -92.66 160.08 15.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.573 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.66 90.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.66 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 104' ' ' ASP . . . . . 0.409 ' O ' ' HG3' ' C' ' 107' ' ' MET . 4.7 p-10 -62.91 -39.2 93.81 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 121.197 0.523 . . . . 0.0 110.31 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.54 -38.76 74.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.099 0.476 . . . . 0.0 110.839 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 28.6 ttt -60.99 -48.92 79.58 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.836 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 107' ' ' MET . . . . . 0.461 ' C ' ' SD ' ' C' ' 107' ' ' MET . 1.3 ppp? -66.55 -38.09 86.37 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.44 -179.196 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 108' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' C' ' 113' ' ' ALA . 90.2 mt-30 -64.63 -42.05 95.74 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.855 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.31 -42.43 99.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.754 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.8 -38.63 91.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.622 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 111' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' C' ' 111' ' ' LEU . 4.1 mm? -88.55 -0.81 57.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.101 0.476 . . . . 0.0 110.657 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 112' ' ' GLY . . . . . 0.428 ' O ' ' HB3' ' C' ' 113' ' ' ALA . . . 70.72 16.87 74.56 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 113' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . 65.26 26.27 12.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.603 0.24 . . . . 0.0 110.467 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 29.7 ttp85 -69.16 128.95 38.44 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.153 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -167.88 -142.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.899 0.38 . . . . 0.0 110.561 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -60.21 -39.87 88.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.045 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 117' ' ' GLU . . . . . 0.458 ' O ' ' OD1' ' C' ' 120' ' ' ASP . 97.9 mt-10 -57.8 -38.51 75.64 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -179.335 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 66.1 m -72.61 -42.06 64.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.869 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.56 -41.86 98.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.29 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 120' ' ' ASP . . . . . 0.458 ' OD1' ' O ' ' C' ' 117' ' ' GLU . 85.1 m-20 54.85 13.75 0.78 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.831 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 1.1 mp 43.9 38.96 2.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.503 0.668 . . . . 0.0 110.694 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 46.9 mmm-85 47.59 33.4 2.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.338 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -112.45 138.05 49.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.378 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -90.41 94.31 9.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.596 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 17.8 mt -118.07 109.84 16.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.785 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 17.6 tttm . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.468 179.822 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.888 0.375 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' C' ' 12' ' ' LEU . . . -62.51 -41.53 98.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.422 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.462 ' O ' ' O ' ' C' ' 12' ' ' LEU . 53.0 t -63.21 -42.84 97.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.989 0.423 . . . . 0.0 110.717 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -63.81 -39.04 93.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.06 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -86.65 -31.02 21.31 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.264 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' C' ' 8' ' ' ALA . 39.6 mt -112.82 134.7 54.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.994 0.426 . . . . 0.0 110.578 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 69.2 p -85.82 171.75 11.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.49 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -60.22 -44.61 95.04 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.474 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.63 -40.62 92.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.146 0.498 . . . . 0.0 110.139 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -65.3 -38.86 91.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.225 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -59.41 -42.75 92.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.997 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -62.02 -40.44 95.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.007 0.432 . . . . 0.0 110.05 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -63.22 -40.13 96.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.946 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -57.29 -46.23 83.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.459 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.19 -39.98 88.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.511 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.19 -43.31 99.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 110.331 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.6 -40.61 97.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.519 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . 0.806 ' O ' HG23 ' C' ' 28' ' ' VAL . 81.3 t80 -60.41 -44.04 96.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.434 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -59.74 -41.91 92.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.533 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.58 -44.14 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.054 0.455 . . . . 0.0 110.329 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . 0.447 ' O ' ' OE1' ' C' ' 40' ' ' GLU . 8.1 m-85 -66.98 -30.98 71.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.387 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.806 HG23 ' O ' ' C' ' 24' ' ' PHE . 95.1 t -71.69 -25.33 24.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.35 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 mt -67.51 126.91 30.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.519 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.21 -1.82 86.5 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.33 123.86 18.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 110.366 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -66.13 -43.18 87.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 54.4 p-10 -107.72 12.38 27.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.71 -4.96 85.82 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 56.8 m -128.79 151.03 50.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.848 0.356 . . . . 0.0 110.602 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 11.1 tt -42.05 138.65 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.448 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 15.9 t -141.0 -166.75 2.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.478 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.0 p -67.16 -38.32 85.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.403 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -66.73 -42.05 86.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.723 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' C' ' 27' ' ' PHE . 9.6 tp10 -65.11 -49.69 69.0 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.285 0.564 . . . . 0.0 110.823 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . 0.402 ' O ' HG12 ' C' ' 44' ' ' VAL . 27.2 tp -67.21 -39.28 86.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.699 0.761 . . . . 0.0 109.411 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.87 -33.89 88.44 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -59.92 -48.91 79.77 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.151 0.501 . . . . 0.0 110.677 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . 0.402 HG12 ' O ' ' C' ' 41' ' ' LEU . 3.4 p -66.14 -33.09 61.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.481 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.0 mmt -63.34 -41.38 98.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.648 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 mtp-105 -62.49 -40.92 98.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.083 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 27.0 ttp -61.56 -41.25 97.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.675 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 90.8 mt -67.35 -12.36 59.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.426 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.9 7.43 57.56 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -98.94 148.95 23.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.65 0.262 . . . . 0.0 110.363 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -132.34 70.93 79.83 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.181 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -72.77 147.34 44.49 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.711 2.274 . . . . 0.0 112.527 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 74.2 p -72.66 152.6 91.52 Favored Pre-proline 0 N--CA 1.45 -0.466 0 C-N-CA 120.117 -0.633 . . . . 0.0 111.006 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.61 -37.16 63.02 Favored 'Trans proline' 0 N--CA 1.498 1.738 0 C-N-CA 122.171 1.914 . . . . 0.0 112.052 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -64.2 -39.94 95.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.822 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.46 -40.88 98.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.342 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 98.3 mt -67.65 -40.16 84.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.683 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -63.74 -42.62 97.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.618 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.45 -39.97 92.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 15.1 mmt -61.03 -43.76 98.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . 0.593 HG22 ' OD2' ' C' ' 65' ' ' ASP . 96.6 mt -65.27 -45.23 94.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.295 0.569 . . . . 0.0 110.298 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -62.72 -40.35 96.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -66.05 -43.34 87.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.48 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -81.11 -20.79 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.83 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.593 ' OD2' HG22 ' C' ' 61' ' ' ILE . 13.6 m-20 -57.2 140.62 49.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.061 0.458 . . . . 0.0 110.544 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -70.41 -44.72 67.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.58 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 48.3 p-10 -111.85 3.83 17.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.13 24.3 76.66 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 93.2 p -62.45 -22.69 66.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.726 0.298 . . . . 0.0 110.761 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.78 -12.45 65.92 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 62.7 m -134.34 137.56 44.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.757 0.313 . . . . 0.0 110.238 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 42.2 t -98.3 118.54 45.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' C' ' 75' ' ' ASP . 2.6 p30 -87.01 -176.46 5.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.628 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -58.6 -49.28 78.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . 0.537 ' N ' ' OD1' ' C' ' 73' ' ' ASP . 35.3 t70 -61.03 -48.81 80.06 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.055 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.47 -39.82 94.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.621 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -64.85 -40.74 95.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.774 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . 0.576 HD23 ' O ' ' C' ' 78' ' ' LEU . 2.6 tt -60.76 -52.21 66.08 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.978 0.418 . . . . 0.0 111.1 -179.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 35.3 m -67.52 -31.63 53.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.664 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 65.6 ttp -61.32 -44.12 97.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.412 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 5.6 tpt -64.71 -42.9 94.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.961 0.41 . . . . 0.0 110.144 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.47 -42.52 96.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.465 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.724 -179.732 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 101' ' ' ILE . . . . . 0.617 ' O ' HD12 ' C' ' 101' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.911 0.386 . . . . 0.0 110.65 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 56.9 m -85.31 148.61 25.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.625 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.44 94.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.418 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -62.89 -42.6 99.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.438 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.67 -44.06 96.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.627 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 65.9 ttp -63.42 -42.96 98.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.546 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 1.6 ttp -60.63 -44.32 96.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.372 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -63.67 -40.07 95.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.437 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.66 -40.8 96.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.66 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.43 -40.49 97.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.476 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 2.5 mp -72.22 -31.45 65.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.718 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.687 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.605 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.464 0.173 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.33 -48.18 82.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.944 0.402 . . . . 0.0 111.485 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.24 -36.04 73.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.571 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -69.61 -44.77 70.02 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.811 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -71.05 -40.34 71.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.639 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 86.7 mt -86.19 144.64 27.36 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.429 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 48.2 p -103.17 -179.75 4.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.616 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -58.0 -42.14 84.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.323 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.97 -46.67 89.8 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.386 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . 0.503 ' N ' ' NE2' ' C' ' 16' ' ' GLN . 0.9 OUTLIER -63.82 -39.17 93.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.052 0.453 . . . . 0.0 110.382 179.673 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -60.96 -40.41 93.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.51 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -61.12 -43.09 99.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.18 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.36 -39.37 94.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.54 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -63.14 -44.41 95.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.717 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.89 -41.1 97.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.975 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.59 -46.5 89.61 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.573 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.66 -40.76 95.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.452 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . 0.544 ' O ' HG22 ' C' ' 28' ' ' VAL . 42.5 t80 -64.7 -38.92 92.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.346 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -59.54 -43.79 93.39 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.342 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 98.3 mt -70.5 -41.18 78.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.124 0.488 . . . . 0.0 110.333 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -41.22 89.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.822 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.544 HG22 ' O ' ' C' ' 24' ' ' PHE . 10.3 m -90.96 24.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 63.3 tp -62.52 125.61 24.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.263 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.02 -10.93 73.4 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -112.29 91.78 3.78 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.974 0.416 . . . . 0.0 110.274 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -62.51 -19.87 64.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.344 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -63.76 -24.48 67.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.556 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.58 14.11 82.33 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 68.5 m -115.57 146.54 41.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.683 0.278 . . . . 0.0 110.536 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.416 ' CD1' HG12 ' C' ' 28' ' ' VAL . 12.5 mm -83.14 122.57 37.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.084 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 22.6 t -121.12 -164.62 1.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.416 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 66.7 p -66.36 -36.97 84.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.314 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.32 -43.17 95.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.86 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.06 -48.02 77.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.019 0.438 . . . . 0.0 110.785 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.59 -37.26 73.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.548 0.69 . . . . 0.0 110.575 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.04 -32.57 71.31 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -58.77 -44.5 90.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.846 0.355 . . . . 0.0 110.296 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 52.9 t -62.66 -41.49 92.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.025 0.441 . . . . 0.0 109.997 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.3 mmt -59.7 -42.45 93.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.244 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -64.12 -37.01 85.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.363 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 53.6 ttm -56.52 -43.65 80.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.746 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.52 -7.83 55.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.494 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.66 13.37 59.68 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -103.71 136.31 43.65 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -128.58 81.39 70.76 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-O 120.935 0.398 . . . . 0.0 110.287 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . 0.582 ' HG2' HD21 ' C' ' 57' ' ' LEU . 56.6 Cg_endo -76.13 161.69 35.12 Favored 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.869 2.379 . . . . 0.0 112.639 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 29.8 p -67.35 150.68 97.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.656 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -63.58 -29.04 70.05 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 122.485 2.123 . . . . 0.0 112.158 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -65.05 -41.87 94.76 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 121.562 0.696 . . . . 0.0 110.645 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -70.9 -35.7 72.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.595 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . 0.582 HD21 ' HG2' ' C' ' 52' ' ' PRO . 86.9 mt -60.84 -45.16 95.61 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.298 -178.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -68.82 -33.52 73.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.606 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -62.99 -41.47 99.58 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.808 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 67.7 mtt -64.14 -40.98 97.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 38.2 mm -63.63 -43.41 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.698 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -58.77 -47.26 85.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.389 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -63.89 -43.55 95.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.004 0.431 . . . . 0.0 110.931 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' C' ' 65' ' ' ASP . 58.2 t -66.54 -39.17 83.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.961 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 50.2 t0 -35.27 142.77 0.05 Allowed 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.747 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . 0.581 ' OE2' HG11 ' C' ' 79' ' ' VAL . 42.5 tt0 -84.74 -50.58 7.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.303 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -103.17 2.59 34.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.016 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.01 23.84 74.46 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . 0.461 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 95.4 p -63.81 -19.45 65.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 0.0 110.777 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.0 -11.17 71.21 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 92.4 m -139.06 141.75 38.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.657 0.265 . . . . 0.0 110.764 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 92.8 t -101.24 122.6 53.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.495 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -101.8 -177.93 3.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.643 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -59.49 -47.06 86.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.737 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -59.32 -49.55 77.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.9 -38.08 89.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.665 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -59.16 -48.07 82.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.824 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.69 -45.08 93.18 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.374 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . 0.581 HG11 ' OE2' ' C' ' 66' ' ' GLU . 53.3 t -62.84 -46.18 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.88 0.371 . . . . 0.0 110.861 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 40.8 mtp -62.6 -40.77 97.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 9.2 tpt -61.94 -44.41 96.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.417 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.92 -45.56 94.41 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.149 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.161 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.146 -179.265 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 91.4 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.922 0.392 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 68.3 m -70.69 153.32 42.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.57 91.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.824 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -58.2 -45.51 87.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.57 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.18 -41.24 97.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 110.39 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 48.0 tpp -67.06 -40.25 87.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.501 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 61.7 ttp -60.29 -46.87 88.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.708 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -61.33 -45.57 93.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.487 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 109' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' C' ' 112' ' ' GLY . . . -63.87 -39.35 93.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.533 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 25.2 tp -68.09 -41.62 81.59 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.548 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.99 -50.22 17.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.489 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 112' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' C' ' 109' ' ' ALA . . . . . . . . 0 CA--C 1.521 0.425 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.701 0.286 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.09 -46.91 88.01 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.299 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.49 ' O ' ' O ' ' C' ' 12' ' ' LEU . 21.4 m -75.18 -32.54 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.189 0.519 . . . . 0.0 110.42 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -60.19 -39.45 86.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.284 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -88.22 -33.48 18.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.279 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.49 ' O ' ' O ' ' C' ' 9' ' ' VAL . 68.8 mt -110.73 140.05 45.47 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.033 0.444 . . . . 0.0 110.872 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 67.3 p -69.44 156.82 38.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.525 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -64.34 -42.08 96.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.657 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -62.76 -42.63 99.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.691 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -64.19 -38.89 92.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.914 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -63.27 -45.27 92.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.636 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -62.96 -39.69 95.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.658 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.9 -42.61 99.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.634 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -67.45 -35.98 80.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.124 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.66 -47.06 83.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.333 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.42 98.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.906 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.53 94.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.672 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . 0.461 ' CD2' ' CE1' ' C' ' 74' ' ' PHE . 69.3 t80 -58.3 -39.43 79.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.66 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -49.76 -28.96 6.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.536 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.62 -38.96 83.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.378 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -61.03 -29.79 69.93 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.665 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.719 ' O ' HG12 ' C' ' 28' ' ' VAL . 58.5 t -83.69 26.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.424 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 33.1 tp -60.72 101.92 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.014 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.8 39.8 48.02 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.15 135.45 49.35 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.609 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -66.19 -43.22 87.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.519 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -105.08 10.92 33.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.704 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.18 3.77 90.61 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 37.6 m -135.3 176.56 8.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.988 0.423 . . . . 0.0 110.902 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.429 HD12 ' HB ' ' C' ' 72' ' ' VAL . 36.0 mt -69.61 123.62 23.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.723 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 37.7 t -111.81 169.38 8.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.51 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . 0.414 ' H ' HG22 ' C' ' 38' ' ' THR . 0.2 OUTLIER -56.68 -33.9 66.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.474 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -63.08 -42.9 99.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.688 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -70.81 -43.74 68.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.054 0.454 . . . . 0.0 111.042 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 tp -64.61 -27.09 68.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.615 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.08 -38.52 93.14 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -43.96 97.71 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.63 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.18 -46.37 96.76 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.47 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 24.8 mmt -64.74 -37.51 87.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.583 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -53.17 -56.47 16.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.854 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 20.7 ptt? -70.31 -21.33 62.94 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.534 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.502 HD23 HE21 ' C' ' 50' ' ' GLN . 16.4 tp -65.19 -14.6 61.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.192 -179.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.21 9.6 44.33 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . 0.502 HE21 HD23 ' C' ' 48' ' ' LEU . 24.6 mt-30 -124.17 140.39 53.01 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -133.21 58.22 33.02 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.75 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -72.05 159.38 50.22 Favored 'Trans proline' 0 C--N 1.307 -1.613 0 C-N-CA 122.911 2.408 . . . . 0.0 112.451 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 17.8 p -63.82 150.24 91.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.838 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -62.05 -30.93 83.49 Favored 'Trans proline' 0 N--CA 1.492 1.441 0 C-N-CA 122.143 1.896 . . . . 0.0 112.245 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.03 -39.98 95.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.234 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -65.53 -42.01 92.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.548 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 16.5 mt -64.57 -40.88 96.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.044 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -61.73 -43.1 99.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.673 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -63.94 -42.34 97.37 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.074 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 65.7 mtt -63.62 -41.45 98.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.68 -40.75 89.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.426 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -59.86 -41.07 90.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.372 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.69 -45.28 75.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.689 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 72.3 t -67.82 -39.12 81.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.76 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' C' ' 69' ' ' SER . 60.5 t0 -52.38 127.62 22.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.962 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -72.67 -42.54 64.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.545 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . 0.467 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 57.6 p30 -90.78 -1.26 57.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.08 -179.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.83 19.71 67.74 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . 0.535 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 94.3 p -71.37 -16.98 62.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.767 0.317 . . . . 0.0 110.818 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . 0.467 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 86.12 -2.59 87.61 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 70.1 p -131.41 157.28 43.85 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.597 0.237 . . . . 0.0 110.548 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . 0.429 ' HB ' HD12 ' C' ' 36' ' ' ILE . 2.3 t -101.96 112.42 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.917 0.389 . . . . 0.0 110.492 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -85.14 177.27 7.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.524 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . 0.461 ' CE1' ' CD2' ' C' ' 24' ' ' PHE . 5.7 m-85 -59.27 -46.88 87.33 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 1.2 p30 -66.45 -45.29 80.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.904 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.509 ' N ' ' OD1' ' C' ' 75' ' ' ASP . 30.5 tt0 -62.36 -43.7 98.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.827 0.346 . . . . 0.0 110.627 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -61.12 -44.0 98.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.508 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 4.4 tp -55.19 -41.25 71.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.162 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 61.5 t -69.05 -42.6 82.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.939 0.399 . . . . 0.0 110.542 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 18.5 ttp -59.96 -45.19 93.46 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.387 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 10.4 tpp -61.18 -45.65 93.72 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.024 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.46 -45.73 98.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.004 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 . . . . . 0 C--N 1.33 -0.268 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.67 -179.732 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 21.5 tt . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.925 0.393 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 26.6 t -89.23 161.78 16.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.01 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.27 83.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.34 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.19 -42.12 94.4 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.16 0.505 . . . . 0.0 109.995 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.88 -39.78 66.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.069 0.462 . . . . 0.0 110.505 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 16.9 tpt -61.57 -49.4 76.79 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.451 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -66.97 -34.02 76.84 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.249 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -61.93 -46.08 90.9 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.495 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.07 -41.6 94.93 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.831 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.89 -40.21 96.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.682 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.45 -16.71 62.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.48 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.557 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.933 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.662 0.268 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.25 99.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.487 ' O ' ' O ' ' C' ' 12' ' ' LEU . 63.1 t -63.51 -42.71 97.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.452 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.87 -45.65 92.85 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.939 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -71.44 -40.65 70.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' C' ' 9' ' ' VAL . 87.6 mt -89.1 145.69 25.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.8 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 46.0 p -115.7 178.75 4.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.248 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -60.18 -40.61 90.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.847 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . 0.546 ' O ' ' ND2' ' C' ' 18' ' ' ASN . 88.1 tt0 -62.06 -40.89 97.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.147 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -62.66 -40.79 98.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.671 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -61.65 -39.98 93.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.556 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' C' ' 15' ' ' GLU . 0.1 OUTLIER -63.26 -47.81 80.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.273 -179.84 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . 0.472 ' N ' ' CG ' ' C' ' 18' ' ' ASN . 0.8 OUTLIER -65.36 -40.33 93.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.647 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.96 -26.49 68.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.353 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -59.53 -39.72 84.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.207 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.96 97.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.704 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.33 99.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.916 0.388 . . . . 0.0 110.505 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . 0.637 ' O ' HG22 ' C' ' 28' ' ' VAL . 76.4 t80 -60.49 -43.34 97.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.506 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -59.19 -41.4 88.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.722 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.19 -41.75 89.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.95 0.405 . . . . 0.0 110.597 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -63.06 -37.57 87.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.177 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.637 HG22 ' O ' ' C' ' 24' ' ' PHE . 19.0 m -102.49 28.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.81 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . 0.593 HD13 ' N ' ' C' ' 30' ' ' GLY . 0.2 OUTLIER -65.28 121.84 15.73 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.036 -179.867 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . 0.593 ' N ' HD13 ' C' ' 29' ' ' LEU . . . 82.71 12.27 80.3 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.35 111.25 12.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.775 0.321 . . . . 0.0 110.162 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.05 -39.73 95.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.687 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -87.94 -10.19 51.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.631 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.86 -8.22 80.16 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 97.3 p -102.8 159.63 15.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.708 0.289 . . . . 0.0 110.561 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.431 ' H ' HG22 ' C' ' 36' ' ' ILE . 1.9 tt -83.3 121.89 36.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.597 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 10.6 p -120.82 -165.58 1.23 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.357 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 46.8 p -64.84 -38.17 90.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.761 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.73 -44.14 96.98 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.957 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 43.2 mp0 -63.96 -45.02 90.98 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.147 0.499 . . . . 0.0 110.811 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . 0.605 HD22 HD22 ' C' ' 57' ' ' LEU . 2.6 tt -67.34 -40.46 85.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.855 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.69 -39.91 98.06 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -59.19 -45.9 89.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.3 -42.84 95.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.518 -0.473 . . . . 0.0 109.971 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 13.2 mmt -62.26 -41.57 98.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.985 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.71 -39.67 94.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.989 0.423 . . . . 0.0 110.447 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 64.1 ttp -62.07 -40.59 96.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.183 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 7.4 mp -74.04 -3.85 31.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.67 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.9 7.01 66.61 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -95.57 139.17 32.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.729 0.299 . . . . 0.0 110.592 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -131.74 66.21 77.5 Favored Pre-proline 0 N--CA 1.462 0.169 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . 0.485 ' HG2' HD21 ' C' ' 57' ' ' LEU . 51.4 Cg_endo -71.67 152.85 59.51 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 122.601 2.2 . . . . 0.0 112.13 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 21.5 p -70.7 151.97 95.27 Favored Pre-proline 0 C--N 1.323 -0.574 0 C-N-CA 120.354 -0.539 . . . . 0.0 111.234 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.79 -39.84 82.42 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 121.842 1.695 . . . . 0.0 112.714 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . 0.477 ' CG ' ' N ' ' C' ' 56' ' ' GLU . 21.3 pt-20 -62.51 -42.4 99.48 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.827 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . 0.477 ' N ' ' CG ' ' C' ' 55' ' ' GLU . 56.7 mt-10 -64.1 -40.7 96.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.495 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . 0.605 HD22 HD22 ' C' ' 41' ' ' LEU . 92.0 mt -63.16 -42.46 99.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.977 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -64.49 -42.71 95.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.705 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -64.94 -42.19 94.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.502 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 87.5 mtp -62.95 -42.25 99.76 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.812 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 81.2 mt -62.77 -42.73 97.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.594 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -59.7 -41.8 91.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.638 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.25 -44.42 95.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.894 0.378 . . . . 0.0 110.457 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 57.4 t -76.7 -38.48 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 63.8 t0 -42.09 143.39 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.758 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . 0.519 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 50.8 mt-10 -85.95 -43.3 13.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.202 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.9 p30 -105.67 -0.88 25.18 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.129 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . 0.454 ' H ' ' CG ' ' C' ' 65' ' ' ASP . . . 66.87 17.85 67.89 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . 0.47 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 88.2 p -71.57 -15.9 62.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.906 0.384 . . . . 0.0 110.787 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.24 -18.98 56.33 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 84.7 m -134.05 138.7 45.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.556 0.217 . . . . 0.0 110.474 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . 0.808 HG11 ' SD ' ' C' ' 80' ' ' MET . 34.4 m -107.46 134.89 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.991 0.424 . . . . 0.0 110.693 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -88.89 -177.3 5.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.398 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.24 -46.97 87.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.401 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -61.34 -46.69 89.18 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.06 0.457 . . . . 0.0 110.862 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -65.52 -37.46 86.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.384 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -59.04 -47.04 86.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.384 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.02 -42.12 89.4 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.353 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 64.5 t -63.5 -40.53 89.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.535 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . 0.808 ' SD ' HG11 ' C' ' 72' ' ' VAL . 82.3 mtp -59.74 -40.03 86.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.208 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 6.1 tpt -55.12 -58.25 8.42 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.118 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . 0.483 HG13 ' N ' ' C' ' 83' ' ' ARG . 10.7 p -71.95 -40.7 68.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 120.842 0.353 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . 0.483 ' N ' HG13 ' C' ' 82' ' ' VAL . 51.2 ttt85 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.882 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 22.0 pt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.872 0.368 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 83.4 p -73.99 167.09 22.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.648 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.2 -37.99 81.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.435 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -57.88 -49.05 78.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 110.324 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.69 -38.76 92.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.041 0.448 . . . . 0.0 110.588 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.06 -38.32 82.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.424 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 59.0 ttm -57.22 -47.94 80.05 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.106 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -66.05 -42.13 89.9 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.366 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.1 93.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.813 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 5.9 tp -58.72 -61.91 2.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.407 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.12 -39.9 95.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.703 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.636 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.713 0.292 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . 0.545 ' O ' ' N ' ' C' ' 12' ' ' LEU . . . -61.97 -44.4 96.82 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.499 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 75.1 t -67.05 -41.24 86.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.013 0.435 . . . . 0.0 110.656 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -62.82 -44.17 96.85 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.09 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -91.5 -43.05 9.92 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.122 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' C' ' 8' ' ' ALA . 39.2 mt -108.63 159.58 16.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.372 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 58.5 p -102.64 168.2 9.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.394 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.13 -36.62 80.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.388 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -59.83 -42.82 94.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.529 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . 0.454 ' OE1' ' CE ' ' C' ' 107' ' ' MET . 99.5 mm-40 -66.43 -40.5 89.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.759 0.314 . . . . 0.0 110.769 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -62.82 -44.49 96.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.581 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -64.61 -41.16 96.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.671 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -61.34 -40.58 94.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.804 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -61.74 -45.7 92.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.057 0.456 . . . . 0.0 110.431 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -47.38 73.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.424 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.17 93.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.883 0.373 . . . . 0.0 110.812 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.81 -26.03 67.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.738 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . 0.777 ' O ' HG23 ' C' ' 28' ' ' VAL . 91.5 t80 -53.28 -37.35 62.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.352 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -58.18 -40.54 81.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.28 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 48.3 mm -68.44 -42.85 84.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.521 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -65.71 -25.52 67.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.728 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.777 HG23 ' O ' ' C' ' 24' ' ' PHE . 79.6 t -70.93 -22.7 23.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.538 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . 0.44 ' O ' ' OE2' ' C' ' 40' ' ' GLU . 57.5 tp -61.01 124.81 21.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.461 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.15 -11.68 65.56 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.95 122.63 24.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.888 0.375 . . . . 0.0 110.424 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.83 -40.61 97.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.12 -1.92 57.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . 0.585 ' O ' HG13 ' C' ' 28' ' ' VAL . . . 81.58 4.3 90.41 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 67.3 m -122.16 155.48 35.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.845 0.355 . . . . 0.0 110.387 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 71.0 mt -60.58 124.99 15.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.584 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 1.4 m -126.63 -164.11 1.3 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.381 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 97.9 m -61.45 -42.72 99.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.564 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -61.23 -46.0 92.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . 0.44 ' OE2' ' O ' ' C' ' 29' ' ' LEU . 76.2 mm-40 -68.61 -44.31 74.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.943 0.401 . . . . 0.0 110.987 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.19 -26.83 68.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.415 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . 0.459 ' C ' ' NH1' ' C' ' 46' ' ' ARG . . . -58.1 -36.61 82.59 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -59.89 -41.19 91.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.389 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.7 -41.53 92.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.392 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 21.3 mmt -62.24 -39.93 94.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.714 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . 0.459 ' NH1' ' C ' ' C' ' 42' ' ' GLY . 84.5 mtt85 -61.18 -40.13 92.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.225 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 32.1 ttp -62.02 -39.98 94.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.97 0.414 . . . . 0.0 110.677 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.5 mt -73.82 -6.0 44.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.564 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.8 15.45 65.48 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -107.42 135.11 49.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.723 0.297 . . . . 0.0 110.448 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -133.05 61.23 54.68 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.704 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . 0.494 ' HG2' HD11 ' C' ' 57' ' ' LEU . 55.7 Cg_endo -74.15 164.86 33.31 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.965 2.443 . . . . 0.0 112.194 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 75.2 p -64.39 147.71 96.95 Favored Pre-proline 0 N--CA 1.448 -0.552 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.563 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.71 -31.51 39.75 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.467 2.111 . . . . 0.0 112.28 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 58.5 mp0 -63.31 -44.01 96.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.629 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -66.19 -39.95 90.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.413 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . 0.494 HD11 ' HG2' ' C' ' 52' ' ' PRO . 18.0 mt -63.23 -40.53 97.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.894 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.57 -40.86 98.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.516 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -61.3 -42.73 99.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.327 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 21.3 mmt -63.68 -40.92 98.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.697 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . 0.451 ' O ' HG12 ' C' ' 64' ' ' VAL . 0.9 OUTLIER -60.86 -37.33 76.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.278 0.561 . . . . 0.0 110.016 -179.557 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -65.39 -43.28 91.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.944 0.402 . . . . 0.0 110.049 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -72.07 -40.4 68.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.359 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . 0.451 HG12 ' O ' ' C' ' 61' ' ' ILE . 0.3 OUTLIER -59.98 -30.97 46.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.436 -178.632 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.462 ' OD2' ' CA ' ' C' ' 70' ' ' GLY . 99.3 m-20 -56.6 113.99 1.85 Allowed 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.275 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -66.88 -43.01 84.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.699 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 59.8 p30 -94.95 -0.25 54.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.762 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.13 24.97 74.66 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 99.5 p -65.09 -16.11 63.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.758 0.313 . . . . 0.0 110.59 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . 0.462 ' CA ' ' OD2' ' C' ' 65' ' ' ASP . . . 92.21 -6.51 78.54 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 66.5 p -132.07 162.3 31.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.765 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . 0.401 ' O ' HG22 ' C' ' 72' ' ' VAL . 0.7 OUTLIER -101.92 109.08 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.571 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . 0.416 ' CG ' ' N ' ' C' ' 74' ' ' PHE . 18.8 t70 -78.27 170.02 17.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.572 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . 0.416 ' N ' ' CG ' ' C' ' 73' ' ' ASP . 0.0 OUTLIER -57.12 -47.03 82.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.46 -179.788 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . 0.641 ' O ' HG23 ' C' ' 79' ' ' VAL . 98.3 m-20 -60.53 -42.69 97.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.694 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.76 -41.79 91.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.829 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -63.1 -45.34 92.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.332 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 5.1 tp -63.04 -37.27 86.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.431 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . 0.641 HG23 ' O ' ' C' ' 75' ' ' ASP . 55.7 t -60.83 -44.68 98.14 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.426 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 81.5 mmm -63.93 -41.49 97.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.853 0.359 . . . . 0.0 111.367 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 31.3 ttm -61.37 -49.93 74.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.704 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . 0.445 HG23 ' N ' ' C' ' 83' ' ' ARG . 18.4 m -71.34 -38.35 68.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.758 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . 0.445 ' N ' HG23 ' C' ' 82' ' ' VAL . 68.6 ttp85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.247 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 97.2 mt . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.862 0.363 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . 0.437 ' OG ' ' OD2' ' C' ' 104' ' ' ASP . 46.8 t -79.57 145.85 32.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.12 0.486 . . . . 0.0 110.812 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.96 -40.45 95.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.73 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 104' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' C' ' 105' ' ' ALA . 2.0 p30 -60.01 -41.18 91.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.694 -179.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 105' ' ' ALA . . . . . 0.555 ' N ' ' OD1' ' C' ' 104' ' ' ASP . . . -62.22 -38.62 89.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.459 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 87.8 mtp -61.41 -44.46 97.1 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.588 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 107' ' ' MET . . . . . 0.454 ' CE ' ' OE1' ' C' ' 16' ' ' GLN . 76.0 mtm -65.03 -40.82 95.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.867 0.365 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -61.72 -45.52 93.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.985 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.54 91.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 5.4 mp -62.31 -43.71 98.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.44 -20.35 64.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.806 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.98 -42.61 98.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.63 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' C' ' 12' ' ' LEU . 60.4 t -62.87 -39.14 83.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.719 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -58.39 -42.64 87.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.313 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.92 -39.73 19.44 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.579 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' C' ' 9' ' ' VAL . 94.2 mt -79.01 140.26 38.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.544 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 70.3 p -109.06 169.3 8.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.4 -39.28 90.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.326 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.41 -46.83 88.61 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.182 0.515 . . . . 0.0 110.673 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -64.48 -40.31 95.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.246 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -62.39 -39.07 92.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.083 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -59.09 -43.4 91.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.403 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.79 -45.62 93.7 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.215 0.531 . . . . 0.0 110.495 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -66.33 -35.6 80.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.599 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -58.06 -46.73 84.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.53 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.85 -43.86 97.99 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.277 0.561 . . . . 0.0 110.532 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.23 -40.02 94.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.418 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -59.36 -45.11 92.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.732 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -58.25 -42.65 86.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.938 0.399 . . . . 0.0 110.267 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.8 mt -67.4 -38.62 81.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.632 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . 0.761 ' CZ ' HG11 ' C' ' 44' ' ' VAL . 4.7 t80 -56.72 -40.03 74.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.604 -178.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.438 HG11 ' O ' ' C' ' 34' ' ' GLY . 27.6 m -83.84 28.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.583 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.84 120.88 5.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.842 0.353 . . . . 0.0 110.539 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.59 -8.21 74.44 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -115.05 97.93 6.5 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.015 0.436 . . . . 0.0 110.46 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -64.91 -35.74 82.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.562 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -63.0 -26.39 68.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.648 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . 0.438 ' O ' HG11 ' C' ' 28' ' ' VAL . . . 95.16 -7.26 69.36 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 86.9 p -77.48 162.83 26.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.798 0.332 . . . . 0.0 110.513 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 35.0 pt -134.95 144.12 35.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.75 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 4.4 t -132.24 -164.63 1.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.266 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 63.0 p -64.0 -37.01 85.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.491 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -62.23 -47.3 85.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.863 0.363 . . . . 0.0 110.83 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -43.91 88.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.999 0.428 . . . . 0.0 110.314 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . 0.463 ' O ' ' CG ' ' C' ' 45' ' ' MET . 77.4 mt -62.22 -39.51 93.01 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.387 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.75 -39.38 97.36 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.79 -53.4 27.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.689 0.28 . . . . 0.0 111.565 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . 0.761 HG11 ' CZ ' ' C' ' 27' ' ' PHE . 11.7 p -67.73 -32.31 56.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.385 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . 0.463 ' CG ' ' O ' ' C' ' 41' ' ' LEU . 7.2 mmt -60.89 -45.95 92.57 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.779 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -63.06 -40.9 99.08 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.3 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 16.3 tmm? -63.17 -40.62 98.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.768 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 20.5 mt -64.63 -19.15 65.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.681 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 100.11 8.18 51.1 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . 0.436 ' O ' ' O ' ' C' ' 45' ' ' MET . 5.0 pt20 -123.07 139.78 53.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.391 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' C' ' 51' ' ' ASN . 33.4 t-20 -131.7 75.03 76.98 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.816 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -72.15 154.95 57.1 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 122.568 2.179 . . . . 0.0 112.344 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 22.5 p -61.88 136.22 94.89 Favored Pre-proline 0 C--N 1.323 -0.564 0 C-N-CA 119.811 -0.756 . . . . 0.0 111.332 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.83 -38.75 78.66 Favored 'Trans proline' 0 N--CA 1.5 1.885 0 C-N-CA 121.942 1.761 . . . . 0.0 112.479 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -62.12 -43.33 99.07 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.567 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.09 -39.37 93.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 84.4 mt -61.8 -42.74 99.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.717 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -65.0 -40.8 95.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.457 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -62.7 -43.82 97.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.241 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . 0.624 ' O ' HG22 ' C' ' 64' ' ' VAL . 28.3 ttt -62.1 -44.04 97.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.548 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 88.2 mt -61.37 -43.92 97.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.555 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -65.14 -42.13 94.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.971 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.64 -41.8 98.2 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.262 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . 0.624 HG22 ' O ' ' C' ' 60' ' ' MET . 19.7 m -88.27 7.89 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.427 ' OD2' ' N ' ' C' ' 70' ' ' GLY . 29.9 t0 -75.43 125.04 28.21 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.371 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -90.77 -46.81 8.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.149 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 56.2 p-10 -91.87 -1.25 57.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.98 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.06 12.51 62.9 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 87.9 p -66.51 -26.53 67.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.938 0.399 . . . . 0.0 111.047 -179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . 0.427 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 84.57 5.3 86.92 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 27.2 m -129.85 141.93 50.75 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.639 0.257 . . . . 0.0 110.475 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 41.3 t -81.35 117.4 27.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.156 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -93.9 178.19 5.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.523 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -58.54 -48.77 79.77 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.559 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.87 -44.16 93.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.997 0.427 . . . . 0.0 110.544 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.88 -37.65 87.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.473 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -59.4 -45.67 90.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.4 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . 0.626 ' O ' HG23 ' C' ' 82' ' ' VAL . 99.0 mt -60.88 -39.96 91.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.131 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.29 -42.43 95.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.756 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 48.8 tpp -57.25 -48.7 78.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.305 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 14.8 mmt -65.21 -39.35 92.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.844 0.354 . . . . 0.0 110.968 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . 0.626 HG23 ' O ' ' C' ' 78' ' ' LEU . 60.9 t -61.48 -44.68 98.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.721 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.827 -179.825 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 18.1 tt . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.828 0.347 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 52.2 m -92.39 155.8 17.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.77 97.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.861 0.362 . . . . 0.0 110.625 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -63.0 -41.32 99.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.0 0.429 . . . . 0.0 110.524 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.88 -39.32 94.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.522 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 15.5 tpt -59.73 -44.29 93.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.216 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 54.6 ttp -61.89 -46.02 91.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.336 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . 0.55 ' O ' ' N ' ' C' ' 112' ' ' GLY . 77.8 mt-30 -64.21 -39.61 94.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.461 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.27 -41.6 97.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.583 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 10.9 mt -69.48 -47.66 63.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.661 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 4.2 mp -109.29 -52.42 2.77 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.901 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 112' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . . . . . . 0 CA--C 1.524 0.601 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.739 0.305 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.98 94.8 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.293 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.463 ' O ' ' O ' ' C' ' 12' ' ' LEU . 54.0 t -63.45 -38.53 82.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.05 0.453 . . . . 0.0 110.906 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -59.46 -40.23 86.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.731 -179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.37 -40.08 11.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.773 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' C' ' 9' ' ' VAL . 69.2 mt -93.77 140.51 29.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.531 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 65.9 p -90.53 177.66 6.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.688 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -61.52 -36.0 79.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.239 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -59.6 -42.59 92.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.801 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -64.11 -40.41 96.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.935 0.398 . . . . 0.0 110.543 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -61.8 -43.37 98.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.287 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -62.26 -45.54 92.82 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.568 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -62.2 -42.48 99.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.525 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.679 ' CE2' HD21 ' C' ' 78' ' ' LEU . 0.0 OUTLIER -56.42 -50.54 71.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.569 -179.696 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -63.08 -45.96 89.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.777 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.81 97.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.41 98.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.941 0.4 . . . . 0.0 110.71 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . 0.819 ' O ' HG23 ' C' ' 28' ' ' VAL . 83.9 t80 -58.68 -44.42 90.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.249 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -58.65 -41.31 85.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.38 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 1.5 mp -71.43 -39.54 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.403 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.25 -18.72 64.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.819 HG23 ' O ' ' C' ' 24' ' ' PHE . 53.6 t -71.67 -23.69 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.674 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . 0.456 ' N ' HD22 ' C' ' 29' ' ' LEU . 4.3 mm? -60.98 134.41 57.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.881 0.372 . . . . 0.0 110.733 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.37 -5.4 84.77 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . 0.594 ' HB2' ' OE2' ' C' ' 40' ' ' GLU . . . -117.06 101.81 8.79 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.779 0.323 . . . . 0.0 110.471 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -64.85 -41.06 96.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.469 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -64.85 -23.42 67.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.393 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.44 -0.88 83.69 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 97.4 p -105.41 166.4 10.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.734 0.302 . . . . 0.0 110.684 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 67.3 mt -92.81 121.42 43.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 16.7 m -117.46 -171.83 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.664 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . 0.492 ' O ' HD13 ' C' ' 57' ' ' LEU . 74.9 p -64.52 -38.65 91.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.53 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -64.95 -39.85 94.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.757 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . 0.594 ' OE2' ' HB2' ' C' ' 31' ' ' ALA . 76.5 mm-40 -61.94 -42.91 99.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.801 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 3.0 mt -63.79 -33.74 76.35 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.196 0.522 . . . . 0.0 110.898 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.37 -29.74 63.74 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -59.54 -42.84 93.26 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.373 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 66.8 t -63.21 -47.81 90.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.87 0.367 . . . . 0.0 110.482 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 6.2 mtm -67.65 -39.29 84.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.579 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 79.9 mtt-85 -61.46 -44.66 96.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.719 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 53.3 ttp -63.14 -39.74 95.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.444 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 tp -59.03 -26.38 64.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.336 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.43 33.46 4.82 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.289 -0.725 . . . . 0.0 111.289 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -113.63 179.45 3.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.648 0.261 . . . . 0.0 110.694 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.12 80.89 57.87 Favored Pre-proline 0 CA--C 1.531 0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.98 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -72.19 154.37 56.87 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 122.838 2.359 . . . . 0.0 112.239 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 28.4 p -123.58 150.6 61.79 Favored Pre-proline 0 N--CA 1.448 -0.542 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.782 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -49.14 -44.99 31.33 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 122.298 1.999 . . . . 0.0 112.259 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -63.69 -43.56 96.28 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.982 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -64.77 -41.89 95.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.97 0.414 . . . . 0.0 110.915 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . 0.492 HD13 ' O ' ' C' ' 38' ' ' THR . 96.7 mt -65.98 -38.93 89.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.758 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -60.88 -42.62 98.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.547 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -65.7 -41.72 92.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.593 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 28.4 ttt -62.28 -42.0 98.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.243 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 mm -59.68 -43.83 92.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.79 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.46 -41.75 90.42 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.434 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -72.52 -43.29 63.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.919 0.39 . . . . 0.0 110.525 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . 0.46 HG12 ' SD ' ' C' ' 80' ' ' MET . 53.6 t -66.44 -39.93 85.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.058 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 58.8 t0 -50.47 146.95 4.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.451 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . 0.537 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 12.7 mm-40 -91.41 -43.37 9.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.988 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -102.22 -2.04 30.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.664 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.33 20.65 69.66 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . 0.491 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 84.2 p -73.02 -12.34 60.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.736 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.47 -19.33 51.16 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 77.5 p -137.52 160.95 37.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.666 0.269 . . . . 0.0 110.437 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . 0.615 HG23 ' O ' ' C' ' 72' ' ' VAL . 33.5 m -120.95 112.66 36.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.396 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -75.45 178.0 6.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.722 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -58.58 -49.34 77.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.662 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -66.22 -41.31 90.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.494 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.77 -39.23 90.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.708 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -59.88 -46.68 88.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.381 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . 0.679 HD21 ' CE2' ' C' ' 20' ' ' PHE . 12.9 mt -60.99 -47.02 88.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 0.0 111.096 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.48 -41.86 94.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.479 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . 0.46 ' SD ' HG12 ' C' ' 64' ' ' VAL . 66.7 ttp -59.33 -44.09 92.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.47 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 2.2 tpt -60.6 -42.71 97.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.959 0.409 . . . . 0.0 110.181 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 78.6 t -65.34 -41.2 90.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.623 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.458 -179.276 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 79.0 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.623 0.249 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 44.3 m -93.11 143.9 25.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.861 0.362 . . . . 0.0 110.438 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.04 -35.05 75.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.354 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -58.84 -36.94 75.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.263 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.3 93.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.613 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 2.6 mmm -63.97 -40.31 96.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.521 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 13.1 ttm -60.99 -49.04 79.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.843 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -61.04 -41.98 97.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.688 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.63 -43.79 92.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.935 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 85.7 mt -68.05 -44.26 76.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.203 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -75.06 -49.29 20.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.869 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.514 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 179.738 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.808 0.337 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.6 -46.08 90.0 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -74.11 -34.97 39.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.963 0.411 . . . . 0.0 110.606 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -63.67 -40.03 95.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.574 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . 0.433 ' O ' ' O ' ' C' ' 12' ' ' LEU . 22.0 mt-30 -98.64 19.39 14.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.838 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' C' ' 11' ' ' GLN . 2.3 pp -34.15 153.15 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 O-C-N 123.598 0.561 . . . . 0.0 110.433 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.3 p -115.75 165.51 12.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.469 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -61.01 -39.65 90.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.381 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . 0.438 ' O ' ' OE1' ' C' ' 19' ' ' GLU . 53.7 tp10 -61.29 -43.34 99.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.18 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -60.31 -40.5 90.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.007 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -63.53 -36.69 84.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -58.51 -47.52 83.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.09 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . 0.438 ' OE1' ' O ' ' C' ' 15' ' ' GLU . 7.6 mp0 -67.21 -38.58 85.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.627 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -59.59 -48.59 81.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.925 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -61.5 -40.8 95.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.687 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.04 -41.05 99.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.627 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.58 92.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.414 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.4 -37.45 80.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.172 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.75 -41.64 97.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.507 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 38.1 pt -77.71 -28.17 15.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.811 0.338 . . . . 0.0 111.17 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.5 -45.07 76.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.599 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 35.1 m -73.12 -4.12 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.954 0.407 . . . . 0.0 110.676 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . 0.474 HD23 ' N ' ' C' ' 30' ' ' GLY . 1.7 tt -69.09 110.06 4.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.478 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . 0.474 ' N ' HD23 ' C' ' 29' ' ' LEU . . . 77.69 18.83 76.84 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.55 115.31 27.22 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.667 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -68.81 -41.51 78.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -67.68 -30.06 69.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.768 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.33 4.28 88.96 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.53 -178.85 5.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.657 0.265 . . . . 0.0 110.384 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 31.2 mm -75.47 121.15 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 110.173 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 5.5 t -148.65 -165.08 2.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.611 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . 0.402 HG22 HG13 ' C' ' 61' ' ' ILE . 68.4 p -67.34 -37.1 82.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.515 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 67.2 tttm -63.54 -42.71 98.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.591 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -60.97 -44.83 96.79 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.07 0.462 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tt -65.23 -41.61 94.2 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.055 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.26 -38.89 96.95 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -58.57 -44.1 89.63 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.73 -43.96 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.581 0.705 . . . . 0.0 110.134 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . 0.506 ' SD ' ' OE1' ' C' ' 50' ' ' GLN . 25.6 mmt -66.77 -39.88 88.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -61.8 -45.23 94.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.669 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 6.2 ptt? -71.28 -22.47 61.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.095 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.65 -3.73 39.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.616 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.84 12.15 66.81 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . 0.506 ' OE1' ' SD ' ' C' ' 45' ' ' MET . 85.0 mt-30 -102.1 152.2 21.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.735 0.302 . . . . 0.0 110.418 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -136.17 65.62 58.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.267 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -72.76 153.72 53.78 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.753 2.302 . . . . 0.0 112.651 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 1.4 p -67.89 154.83 93.0 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.603 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . 0.489 ' HA ' HD12 ' C' ' 57' ' ' LEU . 19.1 Cg_endo -60.26 -31.27 92.76 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.423 2.082 . . . . 0.0 112.054 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . 0.41 ' CG ' ' N ' ' C' ' 56' ' ' GLU . 8.9 pt-20 -67.02 -38.62 86.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.942 0.401 . . . . 0.0 110.202 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . 0.41 ' N ' ' CG ' ' C' ' 55' ' ' GLU . 99.2 mt-10 -67.14 -37.7 84.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.434 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' C' ' 54' ' ' PRO . 84.0 mt -60.92 -42.87 98.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.348 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -67.04 -41.21 86.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.801 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.1 -41.6 96.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.416 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 49.0 tpp -63.26 -41.16 99.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.1 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . 0.402 HG13 HG22 ' C' ' 38' ' ' THR . 4.1 mm -60.59 -46.21 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.815 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -61.18 -43.7 98.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.83 0.348 . . . . 0.0 110.525 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -65.91 -45.19 82.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . 0.434 ' CG1' ' SD ' ' C' ' 80' ' ' MET . 73.3 t -65.14 -39.72 86.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.722 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 52.3 t0 -53.69 139.96 30.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.755 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . 0.535 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 22.5 tp10 -88.03 -42.81 12.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.989 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -101.66 -1.61 32.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.675 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . 0.406 ' H ' ' CG ' ' C' ' 65' ' ' ASP . . . 67.75 23.22 74.01 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . 0.531 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 99.9 p -73.44 -10.51 59.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.817 0.341 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.33 -8.56 75.14 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 69.5 p -135.26 164.04 28.61 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.55 0.214 . . . . 0.0 110.483 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 28.7 t -112.5 116.37 52.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.14 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . 0.523 ' CG ' ' N ' ' C' ' 74' ' ' PHE . 1.0 OUTLIER -73.5 166.64 22.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.356 179.563 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . 0.523 ' N ' ' CG ' ' C' ' 73' ' ' ASP . 16.8 m-85 -56.68 -46.99 80.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.542 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -66.24 -41.16 90.41 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.042 0.448 . . . . 0.0 110.468 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -62.72 -39.91 95.53 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.536 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -64.55 -40.47 95.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.326 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.3 -51.93 65.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.735 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 33.4 m -71.9 -27.7 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.984 0.421 . . . . 0.0 110.723 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . 0.434 ' SD ' ' CG1' ' C' ' 64' ' ' VAL . 50.5 ttp -60.73 -43.87 97.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.767 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 25.1 ttt -61.1 -42.74 99.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.01 0.433 . . . . 0.0 110.654 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 99.2 t -70.41 -35.9 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.464 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.19 -179.552 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.839 0.352 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 64.6 m -67.86 149.04 50.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.499 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.61 -39.57 88.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.636 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.1 -39.68 90.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.42 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.76 95.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.764 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 60.1 mtp -61.97 -44.53 96.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.803 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 76.9 mtm -64.66 -40.03 94.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.457 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' C' ' 112' ' ' GLY . 11.9 tp-100 -62.51 -42.38 99.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.608 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.69 94.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.49 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 6.0 mp -66.28 -42.57 88.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 98.6 mt -93.42 3.56 55.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.653 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 112' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . . . . . . 0 CA--C 1.524 0.63 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.189 0 N-CA-C 110.472 -0.195 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.99 -44.79 87.39 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.877 0.37 . . . . 0.0 110.576 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 76.7 t -70.09 -38.3 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.099 0.476 . . . . 0.0 110.461 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -55.86 -32.29 63.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.759 -179.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -66.34 -15.8 63.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.666 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 50.1 mt -103.66 137.34 41.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.834 0.35 . . . . 0.0 110.468 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 44.1 p -95.11 168.41 10.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.584 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -62.27 -39.8 94.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.362 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -63.61 -40.02 95.86 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.227 0.537 . . . . 0.0 110.411 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -62.98 -41.29 99.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.509 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.55 -39.27 93.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -60.12 -40.89 91.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.342 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -63.08 -43.67 97.9 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 121.415 0.626 . . . . 0.0 110.639 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.68 -22.56 64.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.756 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -52.46 -25.53 10.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.497 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.97 80.58 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.394 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.79 95.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.965 0.412 . . . . 0.0 110.581 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . 0.514 ' O ' HG23 ' C' ' 28' ' ' VAL . 83.9 t80 -59.23 -46.84 87.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.513 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -59.65 -42.4 92.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.78 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 91.8 mt -60.13 -45.29 96.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.555 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -66.39 -34.82 78.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.608 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.514 HG23 ' O ' ' C' ' 24' ' ' PHE . 66.3 t -70.87 -24.57 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.46 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.9 124.04 19.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.559 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.83 -3.49 81.11 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.09 118.79 29.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.601 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.19 -41.25 99.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.479 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.31 -26.21 67.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.534 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.75 -4.04 86.56 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.836 -0.905 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 65.6 m -140.78 161.73 37.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.66 0.267 . . . . 0.0 110.67 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.89 119.97 9.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.069 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 5.6 t -138.6 -158.17 0.83 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.613 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 72.9 p -61.37 -36.82 81.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.509 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -63.15 -50.76 69.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.104 0.478 . . . . 0.0 110.722 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -69.99 -40.91 75.02 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.315 0.579 . . . . 0.0 110.531 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 51.8 tp -63.63 -39.68 94.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.731 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.01 -41.58 99.49 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.326 -1.11 . . . . 0.0 110.326 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -59.98 -42.06 93.37 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.697 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 68.7 t -62.96 -42.86 98.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.261 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 14.0 mmt -62.15 -41.78 98.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.955 0.407 . . . . 0.0 110.378 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -62.63 -38.03 88.64 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.498 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 45.8 mtp -62.24 -38.74 90.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.295 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 94.8 mt -75.51 -10.79 59.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.603 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.41 5.32 59.17 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -101.54 141.45 34.39 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -131.58 74.97 77.46 Favored Pre-proline 0 C--O 1.233 0.21 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.977 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -63.16 149.64 90.85 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 123.184 2.589 . . . . 0.0 112.121 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 21.8 p -70.24 152.88 95.56 Favored Pre-proline 0 N--CA 1.449 -0.505 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.761 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -46.86 -40.69 25.3 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 122.316 2.01 . . . . 0.0 112.335 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -67.11 -32.18 73.15 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-O 121.236 0.541 . . . . 0.0 110.288 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -74.13 -35.47 64.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.73 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.73 -47.06 86.97 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.35 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -71.95 -39.52 69.33 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.777 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -63.19 -40.03 96.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.558 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 17.2 tpt -64.05 -41.18 97.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.281 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 4.4 mm -60.6 -44.05 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.758 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -60.0 -45.03 94.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.343 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.65 -45.52 92.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.36 -39.98 87.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.843 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' C' ' 71' ' ' THR . 1.2 m-20 -62.38 113.11 2.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.686 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -88.9 -18.16 28.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.674 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -109.58 -1.29 18.27 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.72 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.87 17.56 73.49 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 91.5 p -63.4 -21.32 66.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.772 0.32 . . . . 0.0 110.563 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.46 4.39 89.34 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . 0.418 ' O ' ' OD1' ' C' ' 65' ' ' ASP . 81.2 p -130.03 164.71 23.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.791 0.329 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 47.5 t -98.5 107.34 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.609 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.79 163.59 22.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.517 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -59.45 -48.38 81.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.397 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.34 -42.92 99.47 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.625 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -64.61 -39.95 94.63 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.031 0.444 . . . . 0.0 110.449 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -46.01 90.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.696 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 2.2 tp -64.83 -40.29 94.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.112 0.482 . . . . 0.0 110.294 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.05 -38.47 80.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.828 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 3.2 mmm -53.11 -34.41 56.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.792 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.34 -39.64 93.75 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.839 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 85.9 t -82.84 -28.81 8.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.705 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.662 -179.423 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.804 0.335 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 85.9 p -71.33 151.56 44.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.124 0.488 . . . . 0.0 110.797 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.11 -38.66 91.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.423 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -58.34 -45.58 87.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.589 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.03 -42.96 99.46 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.38 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 4.9 tpt -67.41 -40.98 85.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.415 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 28.8 mmm -61.97 -42.68 99.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.587 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.08 -42.74 88.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.881 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.15 97.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.24 -41.2 90.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.56 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -75.28 -35.93 61.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.322 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 -179.171 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.643 0.258 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' C' ' 12' ' ' LEU . . . -61.0 -47.57 85.86 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.363 -179.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 26.0 m -73.67 -35.91 45.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.727 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -67.47 -40.76 85.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -92.77 -38.4 11.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.019 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' C' ' 8' ' ' ALA . 11.3 mt -112.61 162.66 15.43 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.061 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 65.8 p -117.58 179.95 3.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.569 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -58.26 -31.93 67.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.202 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -59.49 -43.59 93.29 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.431 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 -66.14 -39.69 90.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.923 0.392 . . . . 0.0 110.598 178.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 tmtp? -58.12 -48.34 80.5 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.024 0.44 . . . . 0.0 110.476 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.56 -39.75 94.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.713 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -62.1 -39.71 93.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.165 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -61.37 -41.82 97.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.242 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -62.64 -42.32 99.53 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.218 0.532 . . . . 0.0 110.336 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.05 96.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.478 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.96 -38.58 86.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.274 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . 0.423 ' CD2' ' CE2' ' C' ' 74' ' ' PHE . 85.1 t80 -58.48 -48.73 79.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.508 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -59.91 -41.97 92.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.244 0.545 . . . . 0.0 110.382 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 87.5 mt -71.4 -40.61 73.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.063 0.459 . . . . 0.0 110.648 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -67.7 -42.5 81.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.157 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 p -73.88 -22.38 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.329 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.77 129.87 43.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.453 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.8 -2.14 76.03 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . 0.514 ' HB2' ' OE2' ' C' ' 40' ' ' GLU . . . -98.54 106.32 18.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.878 0.37 . . . . 0.0 110.36 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.31 -24.5 65.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.698 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.69 -24.27 67.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.53 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.24 7.18 83.4 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 98.2 p -148.02 161.43 41.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.328 . . . . 0.0 110.55 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 97.0 mt -70.92 130.08 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.475 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . 0.414 ' N ' ' OE1' ' C' ' 40' ' ' GLU . 74.3 p -141.58 -168.17 2.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.769 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 93.5 m -59.57 -37.01 77.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.411 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -57.91 -43.07 85.98 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.489 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . 0.514 ' OE2' ' HB2' ' C' ' 31' ' ' ALA . 22.6 mp0 -64.08 -43.89 94.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.97 0.414 . . . . 0.0 110.804 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 tp -62.98 -44.06 97.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.043 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.74 -37.75 95.16 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -56.85 -48.74 77.36 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.646 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.29 -44.22 98.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.094 0.473 . . . . 0.0 110.235 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 25.1 mmt -63.33 -38.14 89.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.398 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -58.64 -42.86 89.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.893 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -63.12 -37.8 88.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.259 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.18 -7.69 9.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.385 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.2 3.01 70.24 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -105.99 136.82 44.98 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.363 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' C' ' 51' ' ' ASN . 14.0 p-10 -133.1 64.89 72.13 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.71 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -71.93 161.19 45.63 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.79 2.327 . . . . 0.0 111.985 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 64.2 p -60.43 141.76 91.26 Favored Pre-proline 0 C--N 1.326 -0.439 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.057 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.11 -18.23 30.96 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 122.675 2.25 . . . . 0.0 112.383 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -59.1 -46.39 88.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.123 -178.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . 0.407 ' HG2' ' H ' ' C' ' 56' ' ' GLU . 3.0 pt-20 -72.02 -37.18 69.81 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.76 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.64 -41.4 88.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.892 0.377 . . . . 0.0 110.704 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -64.17 -39.98 95.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.537 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.98 -41.83 97.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.167 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . 0.73 ' O ' HG23 ' C' ' 64' ' ' VAL . 3.9 mmt -62.21 -42.2 99.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.543 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 23.8 mm -61.86 -44.95 99.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.663 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.29 -47.93 83.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.536 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -66.3 -40.94 90.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.324 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . 0.73 HG23 ' O ' ' C' ' 60' ' ' MET . 79.2 t -64.24 -39.54 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.582 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.538 ' OD2' ' N ' ' C' ' 69' ' ' SER . 63.8 t0 -54.43 130.53 39.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.701 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . 0.45 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 20.0 mp0 -68.39 -41.16 80.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.564 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 13.3 p30 -93.38 -1.17 56.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.305 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.57 23.15 70.29 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . 0.538 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 50.1 m -66.79 -21.85 66.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.777 0.322 . . . . 0.0 110.479 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.81 -5.26 72.82 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 80.6 p -128.78 157.46 41.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.701 0.286 . . . . 0.0 110.423 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -104.51 110.86 31.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.215 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -83.94 176.44 8.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.586 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . 0.423 ' CE2' ' CD2' ' C' ' 24' ' ' PHE . 0.8 OUTLIER -57.15 -49.05 77.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.374 -179.333 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.07 -44.46 92.32 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.687 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -61.23 -39.84 91.78 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.377 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -60.81 -45.38 94.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . 0.686 ' O ' HG23 ' C' ' 82' ' ' VAL . 27.6 tp -59.83 -50.42 73.88 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.97 -178.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . 0.436 HG23 ' N ' ' C' ' 80' ' ' MET . 34.5 m -72.6 -38.3 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.621 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . 0.436 ' N ' HG23 ' C' ' 79' ' ' VAL . 1.7 tmm? -61.75 -46.89 87.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 23.6 ttt -63.88 -39.32 93.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.398 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . 0.686 HG23 ' O ' ' C' ' 78' ' ' LEU . 64.7 t -60.9 -46.18 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.808 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.508 -179.89 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 5.1 mm . . . . . 0 N--CA 1.464 0.235 0 CA-C-O 120.877 0.37 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . 0.585 ' HG ' ' CG ' ' C' ' 104' ' ' ASP . 45.4 t -70.55 144.2 51.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.777 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.88 94.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.535 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 104' ' ' ASP . . . . . 0.585 ' CG ' ' HG ' ' C' ' 102' ' ' SER . 6.7 p30 -61.08 -40.01 92.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.778 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 105' ' ' ALA . . . . . 0.578 ' N ' ' OD1' ' C' ' 104' ' ' ASP . . . -62.04 -40.82 97.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.303 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 31.1 ttm -59.88 -46.23 89.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.727 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -62.63 -43.86 97.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.719 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . 0.556 ' O ' ' N ' ' C' ' 112' ' ' GLY . 91.4 mt-30 -64.0 -40.97 97.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.85 97.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 0.0 111.147 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 1.1 mp -71.86 -49.87 34.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.356 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 90.2 mt -87.91 -0.05 56.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.715 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 112' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . . . . . . 0 CA--C 1.522 0.51 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.976 0.417 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.75 -40.47 95.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.496 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.473 ' O ' ' O ' ' C' ' 12' ' ' LEU . 75.4 t -63.08 -41.05 91.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.127 0.489 . . . . 0.0 110.509 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.05 -38.16 90.09 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.599 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -82.4 -38.55 23.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' C' ' 9' ' ' VAL . 58.3 mt -100.57 135.45 41.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.989 0.423 . . . . 0.0 110.594 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 66.7 p -81.32 164.95 21.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 57.4 mp0 -61.99 -41.85 98.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.237 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -62.56 -44.72 95.63 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.146 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -62.29 -38.88 91.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.023 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -60.49 -41.28 93.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.109 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -60.47 -44.66 95.67 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.353 0.597 . . . . 0.0 110.489 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.19 -38.77 92.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.232 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.99 -38.75 89.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.29 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -59.32 -45.0 92.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.433 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.57 95.01 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.53 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.6 93.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.452 0.644 . . . . 0.0 110.262 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -61.2 -42.19 98.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.679 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -59.32 -56.27 24.16 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.423 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 14.2 tt -61.11 -24.02 31.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.823 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.13 -39.78 86.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.018 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 26.4 m -87.03 15.8 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.319 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.48 122.59 17.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.563 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.72 6.72 89.2 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.29 112.78 2.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.815 0.34 . . . . 0.0 110.541 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.48 -40.55 89.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.799 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -91.65 3.88 54.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.638 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 68.55 28.67 73.04 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 93.3 p -150.6 164.12 36.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.32 . . . . 0.0 110.566 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 97.8 mt -76.19 120.28 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.386 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 49.7 m -119.26 -170.79 1.99 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.477 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.1 p -63.16 -36.03 82.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.481 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -44.17 97.03 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.997 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . 0.434 ' OE1' ' N ' ' C' ' 40' ' ' GLU . 20.1 mp0 -61.6 -43.7 98.38 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.746 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 48.2 tp -68.7 -37.38 79.48 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.264 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.04 -37.59 91.8 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -59.33 -39.89 84.54 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.365 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.54 -47.68 88.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.48 0.657 . . . . 0.0 110.114 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 60.0 mtt -63.57 -40.69 97.62 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.373 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.12 -37.89 86.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.491 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 5.2 tpp -58.34 -39.03 78.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.808 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' C' ' 48' ' ' LEU . 3.7 mm? -69.58 -13.1 62.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.711 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.93 10.56 45.79 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.81 158.51 18.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.776 0.322 . . . . 0.0 110.398 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -129.76 72.06 82.01 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.511 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -73.44 154.8 50.74 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.683 2.256 . . . . 0.0 112.518 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 30.9 p -95.55 143.27 25.83 Favored Pre-proline 0 N--CA 1.446 -0.646 0 C-N-CA 119.699 -0.801 . . . . 0.0 110.963 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -56.15 -31.31 82.99 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.301 2.001 . . . . 0.0 112.432 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . 0.447 ' O ' ' OE1' ' C' ' 59' ' ' GLU . 21.0 tp10 -61.44 -47.32 86.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.252 -178.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -73.56 -31.29 63.56 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.678 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.37 -42.01 93.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.859 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -69.25 -41.08 77.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.435 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . 0.487 ' N ' ' OE1' ' C' ' 59' ' ' GLU . 1.6 mp0 -64.18 -42.35 96.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 57.8 ttm -60.49 -46.02 91.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.427 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 3.9 mm -62.84 -43.25 98.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.689 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -59.94 -41.26 91.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.75 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . 0.414 ' OE1' ' O ' ' C' ' 59' ' ' GLU . 0.7 OUTLIER -64.68 -41.8 95.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.89 179.845 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 76.1 t -79.11 -32.34 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.041 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 46.9 t0 -42.55 143.36 0.68 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.535 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . 0.557 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 5.6 tp10 -86.3 -47.62 9.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.291 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 50.4 p-10 -101.88 1.23 36.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.272 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.23 23.73 76.19 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . 0.51 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 93.5 p -67.67 -16.9 64.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.776 0.322 . . . . 0.0 110.846 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.16 -4.0 82.66 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 68.7 p -136.44 163.59 30.12 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 121.169 -0.212 . . . . 0.0 110.716 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . 0.649 HG23 ' O ' ' C' ' 72' ' ' VAL . 32.6 m -125.82 109.09 20.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.448 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.94 -170.75 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.52 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -58.44 -48.71 79.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -60.69 -46.97 88.33 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.737 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -69.04 -38.27 79.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.973 0.416 . . . . 0.0 110.979 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -59.88 -47.73 84.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.6 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 10.4 tp -62.3 -40.79 97.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.317 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.28 -41.22 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.709 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . 0.451 ' SD ' HG11 ' C' ' 72' ' ' VAL . 63.5 mtp -59.62 -44.18 93.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 7.7 mmt -63.2 -44.32 95.68 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.905 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 89.5 t -68.75 -40.55 81.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.634 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.424 -179.125 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 37.3 mm . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.942 0.401 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 43.8 t -82.74 144.17 30.38 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.848 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.07 99.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.487 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -60.14 -40.61 90.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.533 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.26 96.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.617 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 13.6 ttp -63.57 -42.92 98.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.864 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 92.3 mtp -65.32 -38.45 90.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.314 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . 0.564 ' O ' ' N ' ' C' ' 112' ' ' GLY . 1.1 mm100 -60.54 -42.53 96.69 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.674 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.46 98.78 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.658 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.19 -41.24 90.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.022 0.439 . . . . 0.0 111.015 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 70.4 mt -98.19 9.22 43.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.436 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 112' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . . . . . . 0 CA--C 1.522 0.497 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.772 0.32 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.55 -44.76 95.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.112 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.22 -43.69 98.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.782 0.325 . . . . 0.0 110.822 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.55 -40.18 93.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.786 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -80.36 -38.81 29.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.035 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 32.1 mt -82.77 146.2 29.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.647 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 43.5 p -118.95 179.54 4.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.479 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -59.11 -39.3 81.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.329 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -61.48 -45.36 94.59 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.527 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -64.17 -39.66 94.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.398 0.618 . . . . 0.0 110.403 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -67.24 -37.98 84.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.912 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -59.57 -49.0 79.47 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.391 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -65.15 -34.38 78.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.386 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.27 -45.17 92.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.801 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -59.83 -44.54 93.99 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.878 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.38 87.56 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.441 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.09 94.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.61 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -61.49 -43.72 98.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.657 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -59.97 -41.4 91.88 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.488 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.0 -41.07 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.965 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -61.85 -45.84 92.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.907 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 27.7 m -74.96 -17.48 16.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.957 0.408 . . . . 0.0 110.525 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.56 111.22 3.5 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.669 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.77 -9.15 58.38 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.91 120.71 17.89 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.636 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -68.07 -41.97 81.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.625 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.58 -22.09 64.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.643 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.82 10.1 67.41 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 91.4 p -148.43 173.38 13.15 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.785 0.326 . . . . 0.0 110.572 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 69.0 mt -76.7 123.79 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 83.0 p -118.39 -175.8 2.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.695 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . 0.414 HG22 ' H ' ' C' ' 38' ' ' THR . 0.6 OUTLIER -59.47 -29.26 67.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.358 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -61.41 -44.68 96.71 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.711 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -66.26 -41.13 90.36 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.405 0.622 . . . . 0.0 110.369 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . 0.532 HD13 HD11 ' C' ' 61' ' ' ILE . 4.9 mt -68.0 -36.38 79.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.675 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.73 -44.11 97.25 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -61.71 -45.14 95.23 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.968 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.87 -44.58 98.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.441 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . 0.427 ' C ' ' O ' ' C' ' 50' ' ' GLN . 22.2 mmt -63.67 -38.47 91.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.619 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -58.47 -45.62 88.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.917 0.389 . . . . 0.0 110.422 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 74.0 mtm -65.32 -36.18 83.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.438 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.73 -8.67 37.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.66 9.61 52.29 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' C' ' 45' ' ' MET . 20.4 mm-40 -122.88 134.2 54.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.874 0.369 . . . . 0.0 110.629 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . 0.514 ' OD1' ' N ' ' C' ' 51' ' ' ASN . 8.1 p-10 -138.58 69.97 45.26 Favored Pre-proline 0 C--N 1.326 -0.45 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.357 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.0 155.43 68.23 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 123.21 2.606 . . . . 0.0 111.717 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 26.8 p -59.05 138.57 87.79 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 120.009 -0.676 . . . . 0.0 110.996 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.71 -38.58 77.21 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 122.301 2.001 . . . . 0.0 112.258 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -61.35 -45.36 94.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.347 . . . . 0.0 110.677 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.4 -39.35 93.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.684 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.79 -42.6 99.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -63.26 -42.04 99.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.779 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.31 -43.06 99.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.966 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . 0.703 ' O ' HG23 ' C' ' 64' ' ' VAL . 99.4 mtp -65.45 -39.56 92.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.951 0.405 . . . . 0.0 110.663 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . 0.532 HD11 HD13 ' C' ' 41' ' ' LEU . 1.2 mp -62.61 -40.59 88.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.385 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -60.57 -46.08 91.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.432 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -68.62 -39.14 80.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.82 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . 0.703 HG23 ' O ' ' C' ' 60' ' ' MET . 77.7 t -62.79 -39.89 86.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.452 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.523 ' OD2' ' N ' ' C' ' 71' ' ' THR . 97.6 m-20 -53.6 119.75 5.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 0.0 110.44 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 41.7 mp0 -67.68 -40.69 84.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.775 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -91.36 -0.09 57.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.26 25.31 73.57 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 99.0 p -61.17 -20.52 62.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.904 0.383 . . . . 0.0 110.716 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.23 -9.36 77.76 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . 0.523 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 68.4 p -137.91 172.43 12.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.636 0.255 . . . . 0.0 110.548 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 72.3 t -104.88 107.14 21.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.221 0.534 . . . . 0.0 110.551 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 45.0 p-10 -96.43 -169.45 1.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.653 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -56.76 -49.75 74.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.009 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.88 -46.81 87.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.005 0.431 . . . . 0.0 111.087 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.458 ' OE1' ' O ' ' C' ' 71' ' ' THR . 7.6 mt-10 -65.62 -38.76 90.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.425 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -59.94 -48.11 83.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.244 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . 0.525 ' O ' HG23 ' C' ' 82' ' ' VAL . 1.0 OUTLIER -57.43 -40.3 78.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.97 -179.515 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.99 -47.82 91.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-O 121.332 0.587 . . . . 0.0 110.545 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 89.5 mtp -63.59 -39.99 95.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.552 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 3.0 ttt -60.9 -38.86 87.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . 0.525 HG23 ' O ' ' C' ' 78' ' ' LEU . 57.9 t -60.43 -38.08 76.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.117 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' C' ' 83' ' ' ARG . 31.6 ttp-105 . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.589 -178.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 78.7 mt . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 120.707 0.289 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 66.6 p -86.14 167.55 14.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.596 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.94 97.07 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.15 0.5 . . . . 0.0 110.286 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.52 -39.22 93.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.185 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.32 -38.94 88.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.341 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 54.3 ttm -59.48 -47.71 84.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.412 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 65.4 ttp -60.8 -44.3 97.03 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.123 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -63.35 -44.04 95.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.456 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.59 -40.76 97.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.442 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.51 -44.64 95.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.119 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 3.5 tp -76.51 -36.49 57.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.391 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.783 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.728 0.299 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . 0.441 ' HB2' HG21 ' C' ' 82' ' ' VAL . . . -60.81 -41.26 95.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.386 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.489 ' O ' ' O ' ' C' ' 12' ' ' LEU . 79.3 t -63.26 -40.77 90.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.069 0.461 . . . . 0.0 109.982 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.63 -46.31 90.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.351 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -72.59 -41.33 65.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.816 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' C' ' 9' ' ' VAL . 12.3 mt -117.57 133.64 55.74 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.194 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 58.1 p -81.97 163.56 22.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -62.98 -40.29 97.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.344 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . 0.45 ' O ' ' OE2' ' C' ' 19' ' ' GLU . 40.2 mp0 -63.67 -41.07 98.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.636 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -62.99 -41.19 99.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.334 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -61.39 -40.68 95.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.757 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.25 -44.21 97.62 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.518 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . 0.45 ' OE2' ' O ' ' C' ' 15' ' ' GLU . 0.8 OUTLIER -70.72 -42.49 70.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.873 0.368 . . . . 0.0 110.805 179.476 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -61.45 -25.9 67.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.606 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -54.89 -36.74 65.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.399 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.12 -41.61 97.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.933 0.397 . . . . 0.0 110.25 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.23 -40.39 95.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.102 0.477 . . . . 0.0 110.268 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . 0.62 ' CD2' ' CE2' ' C' ' 74' ' ' PHE . 62.9 t80 -62.66 -42.47 99.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.226 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -57.65 -39.58 77.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.027 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . 0.496 ' O ' HD23 ' C' ' 29' ' ' LEU . 96.7 mt -64.0 -41.8 93.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.204 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.19 -35.46 71.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 33.3 m -102.37 28.23 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . 0.614 ' O ' HD12 ' C' ' 29' ' ' LEU . 2.6 pp -63.07 122.76 16.86 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.598 0.713 . . . . 0.0 110.639 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 62.92 22.85 65.07 Favored Glycine 0 CA--C 1.523 0.549 0 C-N-CA 120.293 -0.956 . . . . 0.0 110.712 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.89 124.47 21.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 110.678 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.08 -39.98 78.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.768 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -91.97 -23.73 19.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.727 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.92 -5.81 79.16 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 94.4 p -122.41 174.99 6.68 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.76 0.314 . . . . 0.0 110.608 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 mm -82.23 129.16 37.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 9.5 t -131.44 -169.59 2.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.408 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 70.6 p -60.76 -36.38 78.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.676 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.83 -44.97 91.65 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.399 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -70.8 -40.67 72.39 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.994 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . 0.433 ' O ' ' SD ' ' C' ' 45' ' ' MET . 0.6 OUTLIER -60.09 -27.0 66.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.825 -179.842 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.38 -34.31 74.35 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.399 -1.081 . . . . 0.0 110.399 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -62.26 -41.84 98.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.771 0.319 . . . . 0.0 110.443 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 77.4 t -63.77 -44.77 98.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.429 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . 0.61 ' SD ' ' N ' ' C' ' 45' ' ' MET . 0.0 OUTLIER -61.95 -41.8 98.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.745 0.307 . . . . 0.0 111.141 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -61.43 -44.04 97.83 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.428 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 78.2 mtm -65.68 -39.29 91.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.324 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 2.6 mp -70.76 -13.16 61.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.15 4.11 78.33 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -95.0 150.03 20.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.36 . . . . 0.0 110.612 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -138.41 70.31 46.43 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . 0.456 ' HG2' HD21 ' C' ' 57' ' ' LEU . 57.3 Cg_endo -76.31 156.35 37.21 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.85 2.366 . . . . 0.0 112.618 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 53.9 p -69.68 153.07 95.94 Favored Pre-proline 0 N--CA 1.451 -0.422 0 C-N-CA 120.024 -0.67 . . . . 0.0 111.067 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -54.87 -38.84 92.37 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 122.088 1.859 . . . . 0.0 112.398 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -62.71 -42.42 99.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.862 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.5 -40.47 95.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.628 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . 0.456 HD21 ' HG2' ' C' ' 52' ' ' PRO . 71.3 mt -62.84 -40.27 96.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -60.07 -45.38 93.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.45 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.51 -38.12 88.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.83 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 34.4 tpp -59.78 -44.48 93.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.491 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . 0.407 HD11 HD12 ' C' ' 41' ' ' LEU . 97.8 mt -66.57 -40.21 85.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -58.51 -43.04 88.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.346 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -71.44 -40.62 70.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.738 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . 0.554 HG13 ' SD ' ' C' ' 80' ' ' MET . 63.5 t -67.27 -39.91 83.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.295 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.474 ' OD2' ' N ' ' C' ' 70' ' ' GLY . 80.8 m-20 -50.73 130.5 24.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.132 0.491 . . . . 0.0 110.643 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -68.82 -41.92 77.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.308 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -106.09 1.46 26.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.53 23.99 77.18 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 93.0 p -62.4 -19.86 63.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.961 0.41 . . . . 0.0 110.683 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . 0.474 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 95.44 -11.93 68.29 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 63.0 p -137.22 162.5 33.32 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.432 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.72 115.91 51.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.888 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.85 179.28 6.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.518 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . 0.62 ' CE2' ' CD2' ' C' ' 24' ' ' PHE . 0.2 OUTLIER -58.18 -50.64 72.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.573 -179.483 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.84 -46.6 89.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.888 0.375 . . . . 0.0 111.027 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -66.03 -37.41 85.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.363 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -59.1 -47.47 85.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.37 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.65 -41.55 90.83 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.064 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 55.4 t -61.84 -43.58 97.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.473 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . 0.554 ' SD ' HG13 ' C' ' 64' ' ' VAL . 12.7 mmm -57.51 -45.85 84.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.068 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 3.2 mtt -61.89 -45.56 93.19 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.769 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . 0.441 HG21 ' HB2' ' C' ' 8' ' ' ALA . 64.4 t -63.13 -46.09 96.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.884 0.373 . . . . 0.0 110.79 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.747 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.766 0.317 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 82.8 p -73.66 161.2 30.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.605 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.54 99.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.636 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -64.53 -43.16 94.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.455 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.59 -40.64 95.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.546 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 64.9 ttp -61.93 -44.13 97.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.386 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -41.52 95.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.526 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' C' ' 112' ' ' GLY . 71.3 mt-30 -62.1 -40.97 97.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.711 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.03 93.5 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.674 -0.411 . . . . 0.0 111.055 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 18.5 mt -67.89 -43.44 79.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.197 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 9.3 mp -76.09 -38.09 57.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.708 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 112' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . . . . . . 0 CA--C 1.523 0.558 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.709 0.29 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.3 99.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.11 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.457 ' O ' ' O ' ' C' ' 12' ' ' LEU . 74.9 t -64.93 -40.09 87.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.423 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.34 -42.42 98.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.861 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -79.59 -40.54 29.12 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.505 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.457 ' O ' ' O ' ' C' ' 9' ' ' VAL . 1.1 mp -117.38 143.77 45.63 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.795 -179.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 68.3 p -107.47 163.27 13.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.695 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -61.97 -39.72 93.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.801 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.52 -41.55 98.92 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.332 0.587 . . . . 0.0 110.29 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -64.23 -38.75 92.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.155 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -59.35 -41.67 89.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.143 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -59.41 -46.38 88.86 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.04 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -68.32 -40.39 81.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.153 0.501 . . . . 0.0 110.644 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -61.79 -23.03 65.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.478 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -54.54 -38.38 66.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.012 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.1 98.02 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.367 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.86 95.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.406 0.622 . . . . 0.0 110.482 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . 0.459 ' CE2' ' CE2' ' C' ' 74' ' ' PHE . 57.5 t80 -66.78 -38.81 87.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.562 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -58.87 -49.4 77.9 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.914 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 35.9 pt -65.8 -31.41 53.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.476 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.21 -46.99 47.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.03 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 2.0 p -80.54 -2.28 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.438 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . 0.441 ' O ' ' OE2' ' C' ' 40' ' ' GLU . 60.9 tp -56.03 129.75 41.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.109 0.481 . . . . 0.0 110.35 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.65 -13.54 67.02 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.52 97.99 9.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.972 0.415 . . . . 0.0 110.198 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.81 -21.59 66.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.606 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.42 -21.27 66.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.422 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.12 -4.2 84.54 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 64.6 m -132.35 149.62 52.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 110.796 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 10.4 pt -57.96 122.12 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.052 0.453 . . . . 0.0 110.585 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 73.6 p -114.83 -178.65 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.395 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 74.2 p -63.93 -35.33 80.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.382 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -61.78 -46.51 89.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.571 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . 0.441 ' OE2' ' O ' ' C' ' 29' ' ' LEU . 1.3 mm-40 -68.79 -45.06 72.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.578 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . 0.534 ' O ' ' SD ' ' C' ' 45' ' ' MET . 86.4 mt -62.26 -28.72 69.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.873 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.63 -38.59 91.89 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -61.45 -39.49 91.02 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.773 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.19 -45.53 98.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.403 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . 0.597 ' SD ' ' N ' ' C' ' 45' ' ' MET . 0.0 OUTLIER -61.17 -42.09 97.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.772 0.32 . . . . 0.0 110.68 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.54 -39.45 93.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.395 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 51.4 ttm -60.99 -41.27 96.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.201 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 tp -73.18 -11.45 60.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.57 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.26 -5.95 59.33 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -88.12 139.23 30.72 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 120.923 0.392 . . . . 0.0 110.795 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -71.01 148.15 94.27 Favored Pre-proline 0 C--N 1.327 -0.409 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.623 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.85 141.21 53.13 Favored 'Trans proline' 0 N--CA 1.491 1.382 0 C-N-CA 122.041 1.828 . . . . 0.0 112.112 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 1.1 p -138.27 106.18 7.9 Favored Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.991 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.27 -21.43 35.8 Favored 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 121.912 1.741 . . . . 0.0 112.331 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -73.27 -49.36 28.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.052 0.453 . . . . 0.0 111.486 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.56 -37.17 60.15 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.055 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 69.0 mt -62.28 -43.07 99.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.788 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -67.79 -38.66 83.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.126 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -69.91 -41.73 74.28 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.707 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . 0.789 ' O ' HG22 ' C' ' 64' ' ' VAL . 14.2 tpt -66.87 -48.51 68.55 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.625 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 17.8 tt -63.15 -34.49 67.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -68.69 -46.56 68.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.34 -46.31 87.22 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.293 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . 0.789 HG22 ' O ' ' C' ' 60' ' ' MET . 35.1 m -75.14 -15.71 15.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.616 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.553 ' OD2' ' N ' ' C' ' 69' ' ' SER . 51.7 t0 -45.66 151.03 0.45 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.263 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . 0.549 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 13.5 tm-20 -78.89 -49.88 12.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.856 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . 0.468 ' CG ' ' HG ' ' C' ' 69' ' ' SER . 35.5 p30 -114.38 7.03 16.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.32 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.21 23.28 77.83 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 120.318 -0.944 . . . . 0.0 111.226 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . 0.553 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 51.0 m -65.42 -16.47 63.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.4 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.25 -12.77 69.11 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 78.5 p -135.54 164.0 28.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.629 0.252 . . . . 0.0 110.475 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 59.9 t -109.85 105.98 19.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.551 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.01 177.88 7.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.487 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . 0.459 ' CE2' ' CE2' ' C' ' 24' ' ' PHE . 62.6 m-85 -60.12 -49.0 79.37 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.982 0.42 . . . . 0.0 110.763 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -65.01 -39.71 93.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.572 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.88 -39.93 95.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.792 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -60.33 -47.37 86.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.525 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.63 -48.02 83.63 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.513 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . 0.508 ' O ' HG22 ' C' ' 82' ' ' VAL . 64.0 t -69.54 -45.56 77.96 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.602 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 64.4 ttp -58.81 -25.26 63.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -53.02 -37.93 61.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.437 -179.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . 0.508 HG22 ' O ' ' C' ' 79' ' ' VAL . 1.6 m -72.08 -35.72 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.38 . . . . 0.0 110.755 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.248 -179.642 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 82.0 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.72 0.295 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 2.2 m -65.09 158.9 24.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.006 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.55 96.76 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.942 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 104' ' ' ASP . . . . . 0.461 ' CG ' ' N ' ' C' ' 105' ' ' ALA . 0.6 OUTLIER -67.61 -44.26 78.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.34 -179.728 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 105' ' ' ALA . . . . . 0.461 ' N ' ' CG ' ' C' ' 104' ' ' ASP . . . -61.78 -38.87 89.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.437 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 37.8 ttm -59.36 -46.36 88.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.528 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 11.6 tpp -60.88 -46.8 89.17 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.673 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -62.44 -41.6 98.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.635 -178.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.14 99.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 10.2 tp -73.75 -50.27 21.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.445 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 62.8 tp -62.86 -48.26 79.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.787 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 -179.059 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.066 0 N-CA-C 110.519 -0.178 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.21 92.19 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 121.154 0.502 . . . . 0.0 110.353 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 60.5 t -71.34 -40.29 73.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.995 0.426 . . . . 0.0 110.937 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -61.03 -48.82 80.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.948 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . 0.403 HE21 ' C ' ' C' ' 11' ' ' GLN . 0.0 OUTLIER -66.05 -38.04 87.36 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.176 179.722 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 39.9 mt -62.35 136.96 58.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.772 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.1 p -95.07 167.57 11.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.68 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.24 -39.66 91.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.405 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.44 -46.07 91.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -66.22 -41.04 90.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.464 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -67.3 -41.77 84.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.232 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -61.98 -45.13 94.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.604 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.65 -46.4 89.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.438 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -63.27 -41.53 99.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.691 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -63.28 -42.93 99.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.616 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.24 -44.07 97.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.489 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.71 -39.75 95.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.447 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -59.2 -46.59 88.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.78 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -58.74 -43.05 90.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.082 0.468 . . . . 0.0 110.541 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 87.3 mt -59.99 -43.86 93.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.822 0.344 . . . . 0.0 110.643 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -69.82 -37.0 76.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.06 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.15 -16.19 19.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.123 -178.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.51 128.07 34.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.198 -179.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.1 -8.71 45.63 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.39 119.65 36.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.829 0.347 . . . . 0.0 110.487 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -65.45 -38.56 90.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.808 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -64.45 -25.92 68.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.526 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.77 14.73 57.7 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 88.0 p -136.11 168.52 19.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.791 0.329 . . . . 0.0 110.612 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 3.9 pt -85.56 119.51 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.536 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 97.4 p -110.61 -162.2 0.79 Allowed 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.7 p -66.23 -32.04 73.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.574 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -59.99 -44.66 94.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.951 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 37.3 mp0 -64.92 -41.47 95.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.995 0.426 . . . . 0.0 110.518 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -37.35 87.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.207 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.36 -40.77 99.1 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -61.94 -42.43 99.1 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.1 0.476 . . . . 0.0 109.961 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 63.2 t -62.66 -42.94 97.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.217 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 23.6 mmt -61.99 -37.75 86.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.109 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . 0.697 ' HE ' ' ND2' ' C' ' 51' ' ' ASN . 4.1 mmt85 -60.63 -40.58 92.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.07 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 22.8 mtt -62.61 -39.12 92.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.94 0.4 . . . . 0.0 110.282 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 18.9 mt -72.68 -10.02 59.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.504 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.9 18.74 49.97 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -125.97 148.4 49.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.889 0.376 . . . . 0.0 110.355 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . 0.697 ' ND2' ' HE ' ' C' ' 46' ' ' ARG . 18.0 t-20 -140.47 71.54 31.87 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.582 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -60.66 152.07 71.63 Favored 'Trans proline' 0 C--N 1.304 -1.763 0 C-N-CA 122.959 2.44 . . . . 0.0 112.098 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.57 155.15 61.39 Favored Pre-proline 0 N--CA 1.453 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.585 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -60.57 -32.18 93.15 Favored 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.541 2.161 . . . . 0.0 112.351 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -62.87 -45.83 90.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.629 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -63.96 -39.66 94.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.732 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 98.5 mt -62.88 -40.17 96.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.616 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -64.12 -40.99 97.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.042 0.448 . . . . 0.0 110.445 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -71.74 -39.5 70.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.78 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 59.3 ttm -62.15 -49.27 76.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.164 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 14.4 tt -69.49 -31.59 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.615 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.34 -43.99 96.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.796 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.54 -41.4 93.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.804 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . 0.522 ' O ' ' NH2' ' C' ' 83' ' ' ARG . 75.7 t -68.15 -39.48 81.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.594 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 23.7 t0 -39.02 152.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.401 -179.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . 0.528 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 2.5 tt0 -91.49 -41.83 10.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.035 -179.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -104.04 -1.65 27.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.24 15.78 74.91 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 46.8 m -68.14 -18.03 64.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 110.486 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.32 -4.01 82.38 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 88.7 m -131.42 137.66 48.74 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.712 0.291 . . . . 0.0 110.482 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 73.2 t -117.08 128.04 74.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.736 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . 0.474 ' CG ' ' H ' ' C' ' 74' ' ' PHE . 35.3 t0 -104.95 -171.78 1.98 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.746 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . 0.474 ' H ' ' CG ' ' C' ' 73' ' ' ASP . 0.2 OUTLIER -59.56 -51.08 71.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.172 179.567 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -59.22 -50.52 73.71 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.761 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.23 -40.05 96.35 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.719 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -59.17 -48.66 80.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.869 0.366 . . . . 0.0 111.186 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -53.7 49.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.316 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . 0.425 HG23 ' N ' ' C' ' 80' ' ' MET . 34.4 m -72.87 -37.7 55.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.227 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . 0.466 ' SD ' ' CG1' ' C' ' 64' ' ' VAL . 17.3 tmm? -61.37 -39.66 91.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.411 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . 0.463 ' C ' ' SD ' ' C' ' 81' ' ' MET . 0.0 OUTLIER -50.55 -49.0 57.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.653 -178.843 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 73.0 t -69.6 -44.59 79.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.907 0.384 . . . . 0.0 110.958 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . 0.522 ' NH2' ' O ' ' C' ' 64' ' ' VAL . 23.2 ttp180 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 84.1 mt . . . . . 0 CA--C 1.523 -0.06 0 CA-C-O 121.002 0.429 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 67.8 m -61.75 151.33 34.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.705 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.06 78.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.509 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -58.73 -44.03 90.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.519 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.71 98.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.896 0.379 . . . . 0.0 110.671 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 93.4 mmm -63.23 -44.57 94.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.749 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 94.5 mtp -65.49 -42.56 92.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -66.17 -41.75 89.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.67 -40.65 95.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.75 -51.57 58.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.985 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 85.1 mt -65.04 -42.13 94.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.981 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.764 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.946 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.058 0 CA-C-O 120.748 0.309 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . 0.652 ' HB1' HG21 ' C' ' 82' ' ' VAL . . . -60.04 -41.58 92.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.167 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.461 ' O ' HD23 ' C' ' 12' ' ' LEU . 73.3 t -63.56 -41.26 92.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.25 0.548 . . . . 0.0 110.118 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -60.25 -35.43 75.47 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.441 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -91.25 10.16 28.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.55 -178.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.676 HD12 ' N ' ' C' ' 13' ' ' THR . 0.7 OUTLIER -67.27 152.29 45.99 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 179.618 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . 0.676 ' N ' HD12 ' C' ' 12' ' ' LEU . 71.9 p -110.26 148.67 31.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.877 0.37 . . . . 0.0 110.607 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . 0.43 ' O ' ' OD1' ' C' ' 18' ' ' ASN . 98.8 mt-10 -68.18 -38.23 81.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.912 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -60.47 -45.25 94.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.502 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -68.3 -40.32 81.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.956 0.408 . . . . 0.0 110.393 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.9 -41.68 99.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' C' ' 14' ' ' GLU . 27.2 m120 -60.88 -42.31 97.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.802 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -45.8 86.84 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.001 0.429 . . . . 0.0 110.285 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.618 ' CD2' ' CZ ' ' C' ' 77' ' ' PHE . 87.4 t80 -62.79 -38.57 91.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.367 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -57.01 -46.53 82.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.409 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.88 -45.03 83.56 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.111 -0.635 . . . . 0.0 110.435 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.02 -24.97 67.65 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.033 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . 0.758 ' O ' HG22 ' C' ' 28' ' ' VAL . 85.4 t80 -55.69 -38.06 69.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.259 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -60.57 -44.06 96.61 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.607 -179.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 91.4 mt -72.39 -39.72 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.739 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . 0.467 ' O ' ' OE2' ' C' ' 40' ' ' GLU . 0.5 OUTLIER -61.21 -28.56 69.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 -179.436 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.758 HG22 ' O ' ' C' ' 24' ' ' PHE . 16.7 m -112.07 27.06 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 110.496 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . 0.522 HD13 ' N ' ' C' ' 30' ' ' GLY . 0.2 OUTLIER -63.96 115.96 5.38 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.356 -179.576 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . 0.522 ' N ' HD13 ' C' ' 29' ' ' LEU . . . 86.51 -3.18 87.27 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.3 96.51 10.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.177 0.513 . . . . 0.0 110.43 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -69.74 -16.92 63.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.363 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' C' ' 33' ' ' ASP . 48.4 t0 -65.44 -27.92 68.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.598 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.52 10.82 85.6 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.706 -0.957 . . . . 0.0 110.706 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 58.4 m -136.5 160.52 38.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.725 0.297 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 89.5 mt -86.85 114.9 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.361 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 85.5 p -109.48 -177.76 3.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.519 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.2 p -63.22 -37.4 87.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.206 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.2 -40.68 96.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.64 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . 0.467 ' OE2' ' O ' ' C' ' 27' ' ' PHE . 37.4 tp10 -64.03 -43.84 94.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.453 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.12 -41.4 94.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.3 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.65 -39.32 96.42 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.481 -1.047 . . . . 0.0 110.481 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.77 -44.22 97.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.961 0.41 . . . . 0.0 110.263 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 68.4 t -62.22 -44.04 98.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.132 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 26.2 mmt -65.02 -35.35 80.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.107 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 49.1 ttm-85 -56.19 -47.59 78.04 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 72.6 mtm -65.03 -38.21 90.15 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.513 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.39 -12.26 5.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.588 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.69 9.06 61.66 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -109.63 148.37 31.45 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -128.51 71.88 80.49 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.094 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . 0.445 ' HG2' HD11 ' C' ' 57' ' ' LEU . 54.4 Cg_endo -73.84 150.47 44.27 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.668 2.245 . . . . 0.0 112.032 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 69.4 p -81.06 153.81 72.32 Favored Pre-proline 0 C--N 1.324 -0.542 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.517 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.47 -30.81 87.29 Favored 'Trans proline' 0 N--CA 1.498 1.74 0 C-N-CA 121.866 1.711 . . . . 0.0 112.367 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.78 -47.46 86.24 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.366 -178.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' C' ' 57' ' ' LEU . 4.9 pt-20 -72.41 -37.33 68.7 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.321 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . 0.445 HD11 ' HG2' ' C' ' 52' ' ' PRO . 85.6 mt -63.64 -42.11 98.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.753 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -65.67 -43.07 90.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.025 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -64.41 -41.37 96.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 26.3 ttt -62.79 -45.63 91.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.686 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' C' ' 65' ' ' ASP . 92.3 mt -65.6 -41.96 91.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.743 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -57.58 -43.51 84.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.5 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -62.99 -42.36 99.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.135 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . 0.441 ' O ' HG12 ' C' ' 64' ' ' VAL . 75.3 t -81.83 -12.84 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.792 -179.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' C' ' 69' ' ' SER . 52.3 t0 -61.97 137.55 58.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.276 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . 0.523 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 8.8 tm-20 -88.95 -40.27 13.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.164 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.76 -1.14 28.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.19 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . 0.522 ' H ' ' CG ' ' C' ' 65' ' ' ASP . . . 66.35 22.02 70.8 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . 0.535 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 99.9 p -72.0 -12.66 61.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.693 0.282 . . . . 0.0 110.799 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.12 5.34 89.76 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 58.2 p -131.0 164.25 25.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.614 0.245 . . . . 0.0 110.586 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 47.0 t -120.11 117.51 53.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.876 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -104.21 -169.65 1.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.508 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . 0.467 ' CZ ' ' CE1' ' C' ' 24' ' ' PHE . 29.7 m-85 -59.26 -42.99 92.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.026 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.38 -45.16 94.41 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.979 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -71.04 -28.95 64.75 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 121.181 0.515 . . . . 0.0 110.65 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . 0.618 ' CZ ' ' CD2' ' C' ' 20' ' ' PHE . 0.0 OUTLIER -64.11 -39.44 94.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.434 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . 0.449 ' O ' HG22 ' C' ' 82' ' ' VAL . 18.1 mt -59.86 -45.47 92.34 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.481 -179.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . 0.443 ' H ' HG13 ' C' ' 79' ' ' VAL . 0.8 OUTLIER -71.56 -30.09 37.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.14 -179.696 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 66.6 ttp -68.34 -42.21 79.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.981 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 6.3 tpt -63.99 -51.15 65.65 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.025 0.441 . . . . 0.0 111.1 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . 0.652 HG21 ' HB1' ' C' ' 8' ' ' ALA . 31.1 m -66.35 -30.84 51.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 61.4 ttt85 . . . . . 0 C--N 1.329 -0.296 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.036 179.735 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 87.3 mt . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.767 0.317 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 54.9 m -87.64 161.83 17.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.705 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.69 -41.18 94.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.5 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -62.17 -41.5 98.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.484 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.71 -41.02 98.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.633 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 106' ' ' MET . . . . . 0.434 ' SD ' ' C ' ' C' ' 106' ' ' MET . 15.2 tmm? -61.53 -44.71 96.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.544 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -47.59 81.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.348 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -62.41 -46.51 88.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.558 -179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.58 93.54 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.923 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.11 -47.81 72.94 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.63 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 43.0 tp -65.52 -45.14 84.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.381 -178.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.752 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.912 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.796 0.331 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.09 97.23 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.529 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.471 ' O ' ' O ' ' C' ' 12' ' ' LEU . 77.8 t -66.5 -40.95 87.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.009 0.433 . . . . 0.0 110.617 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -61.33 -29.41 69.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.984 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -91.74 -33.78 14.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.471 ' O ' ' O ' ' C' ' 9' ' ' VAL . 37.2 mt -100.29 142.64 31.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.084 0.468 . . . . 0.0 110.529 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 78.2 p -77.35 166.58 22.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.803 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -62.94 -36.21 82.68 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.086 0.47 . . . . 0.0 110.585 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.09 -44.06 95.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.164 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -63.61 -38.57 91.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.247 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.86 -47.18 68.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.009 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -61.94 -44.51 96.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -62.87 -38.3 90.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.378 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.427 ' CE2' HD13 ' C' ' 12' ' ' LEU . 5.1 m-85 -59.59 -42.71 93.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.748 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . 0.5 ' NZ ' ' CE1' ' C' ' 74' ' ' PHE . 9.2 mmtm -60.68 -48.18 82.93 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.728 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.75 -41.62 78.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.835 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.44 -45.21 95.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.852 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -61.3 -45.94 92.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.587 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -57.74 -40.41 79.59 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.588 0.555 . . . . 0.0 110.618 -179.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.43 -42.31 95.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.009 0.433 . . . . 0.0 110.6 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -58.83 -43.11 90.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.347 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 35.5 m -87.91 18.99 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.91 0.385 . . . . 0.0 110.603 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 tp -70.02 121.44 17.42 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.18 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.09 20.32 73.09 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.1 127.9 34.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.989 0.424 . . . . 0.0 110.455 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -79.83 -29.47 40.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.765 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -102.56 6.15 39.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.732 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.2 1.25 89.92 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 37.8 t -152.8 146.22 24.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 tt -53.5 141.2 8.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.497 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 49.6 m -123.23 176.55 6.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.727 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . 0.419 HG23 ' N ' ' C' ' 39' ' ' LYS . 12.7 t -60.75 -36.68 79.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.758 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . 0.486 ' HG3' ' H ' ' C' ' 40' ' ' GLU . 0.0 OUTLIER -53.1 -48.46 67.77 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.213 0.53 . . . . 0.0 110.899 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . 0.486 ' H ' ' HG3' ' C' ' 39' ' ' LYS . 98.7 mt-10 -65.29 -40.73 94.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.091 0.472 . . . . 0.0 110.514 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.49 -39.53 84.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.375 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.5 -39.83 96.91 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -60.94 -40.36 92.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.0 0.428 . . . . 0.0 110.041 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 76.6 t -68.07 -40.56 83.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.534 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 23.4 mmt -60.98 -36.47 79.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.655 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -52.43 -36.66 54.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.393 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 8.7 mtt -63.59 -27.18 69.07 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.575 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 86.0 mt -85.67 3.08 42.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.468 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.21 3.98 86.82 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -98.97 127.07 44.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 110.542 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -136.96 60.4 28.75 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.323 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -71.72 160.34 48.36 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.932 2.421 . . . . 0.0 112.411 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.34 155.6 35.35 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.417 -179.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.28 -33.1 97.84 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.489 2.126 . . . . 0.0 112.058 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.93 -41.12 91.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.02 0.438 . . . . 0.0 110.377 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.73 -39.43 93.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.437 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.05 -41.23 97.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.575 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -65.58 -41.09 93.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.613 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -62.59 -42.25 99.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.238 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 93.0 mmm -63.54 -41.4 98.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.16 0.505 . . . . 0.0 110.603 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 7.7 mm -64.85 -42.51 95.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.952 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -57.71 -43.96 85.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.136 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -65.15 -42.24 93.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.939 0.399 . . . . 0.0 110.592 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . 0.531 HG11 ' SD ' ' C' ' 80' ' ' MET . 75.5 t -70.03 -39.74 77.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.809 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 52.2 t0 -51.29 143.22 11.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.428 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . 0.539 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 22.3 mm-40 -89.77 -42.03 11.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.058 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 55.2 p30 -102.73 -0.69 31.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.012 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . 0.401 ' H ' ' CG ' ' C' ' 65' ' ' ASP . . . 66.33 24.0 71.96 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . 0.528 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 99.2 p -64.08 -19.85 65.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.837 0.351 . . . . 0.0 110.697 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.58 -8.82 78.33 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 76.3 p -131.7 163.8 27.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.453 0.168 . . . . 0.0 110.555 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . 0.47 HG12 ' HB2' ' C' ' 77' ' ' PHE . 16.5 t -110.61 111.48 36.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.0 0.429 . . . . 0.0 110.149 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -87.54 -178.48 6.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.596 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . 0.5 ' CE1' ' NZ ' ' C' ' 21' ' ' LYS . 47.7 t80 -58.61 -49.6 76.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.153 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -65.09 -48.54 73.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.97 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -63.62 -41.05 98.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.484 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . 0.47 ' HB2' HG12 ' C' ' 72' ' ' VAL . 19.5 t80 -60.04 -49.11 78.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.059 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.29 -46.14 91.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.999 0.428 . . . . 0.0 110.225 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 56.2 t -66.19 -40.47 87.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.397 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . 0.531 ' SD ' HG11 ' C' ' 64' ' ' VAL . 61.9 ttp -57.26 -48.19 79.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.122 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 27.6 ttt -62.2 -44.31 96.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.867 0.365 . . . . 0.0 110.354 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 64.8 t -63.67 -43.28 98.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.618 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.701 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 101' ' ' ILE . . . . . 0.507 HG23 ' O ' ' C' ' 101' ' ' ILE . 10.5 tt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.861 0.362 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 67.9 m -65.24 149.35 50.1 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.501 0.667 . . . . 0.0 111.083 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.21 -36.04 78.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.299 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -58.56 -41.62 86.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.004 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.46 -40.46 97.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.218 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 78.7 mtp -62.85 -43.85 97.7 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.566 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 51.7 tpp -68.77 -32.59 72.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.328 0.585 . . . . 0.0 109.967 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . 0.632 ' O ' ' N ' ' C' ' 112' ' ' GLY . 37.9 tp60 -59.59 -50.33 74.29 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.858 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.61 -38.98 92.31 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.849 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.81 -37.43 67.54 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.709 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.18 -51.92 2.41 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.021 0.439 . . . . 0.0 111.361 -179.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 112' ' ' GLY . . . . . 0.632 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . . . . . . 0 CA--C 1.524 0.635 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.876 0.37 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.72 -42.19 98.62 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.949 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.445 ' O ' ' O ' ' C' ' 12' ' ' LEU . 56.4 t -64.16 -41.65 93.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.688 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -61.71 -40.25 94.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.979 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -85.11 -38.38 19.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.416 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.445 ' O ' ' O ' ' C' ' 9' ' ' VAL . 44.4 mt -114.8 142.25 46.79 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.983 0.42 . . . . 0.0 110.633 -179.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 63.0 p -80.12 167.03 20.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.406 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -60.05 -37.03 78.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.773 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -62.24 -42.56 99.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.54 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . 0.483 ' OE1' ' N ' ' C' ' 16' ' ' GLN . 0.0 OUTLIER -68.18 -39.62 82.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.669 179.669 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -59.05 -44.87 91.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.463 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -59.83 -44.86 93.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.45 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.65 -39.94 95.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.732 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -64.17 -40.4 96.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.037 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -61.01 -42.76 99.08 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.711 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.19 -39.69 86.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.768 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.16 -33.12 71.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.856 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . 0.771 ' O ' HG23 ' C' ' 28' ' ' VAL . 86.3 t80 -55.16 -38.46 68.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.4 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.79 -40.63 93.33 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.048 0.451 . . . . 0.0 110.822 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . 0.47 ' O ' HD23 ' C' ' 29' ' ' LEU . 93.4 mt -61.26 -44.72 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.251 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . 0.401 ' HB3' HD12 ' C' ' 36' ' ' ILE . 32.7 m-85 -68.82 -27.65 66.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.771 HG23 ' O ' ' C' ' 24' ' ' PHE . 77.9 t -70.84 -25.75 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.797 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . 0.676 ' C ' HD12 ' C' ' 29' ' ' LEU . 0.7 OUTLIER -61.14 143.52 55.34 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.142 0.496 . . . . 0.0 110.624 179.467 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . 0.483 ' N ' HD12 ' C' ' 29' ' ' LEU . . . 78.79 -0.94 75.65 Favored Glycine 0 CA--C 1.519 0.299 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.94 97.2 5.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.974 0.416 . . . . 0.0 110.561 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . 0.426 ' N ' ' CD ' ' C' ' 32' ' ' GLU . 1.0 OUTLIER -68.36 -25.3 65.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.587 179.546 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -65.03 -21.02 66.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.478 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.3 9.72 81.41 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 47.5 t -139.92 149.07 42.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.899 0.38 . . . . 0.0 110.331 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.577 ' N ' HD13 ' C' ' 36' ' ' ILE . 1.3 mm -63.57 113.3 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.051 -178.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 59.8 p -87.27 173.14 9.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.719 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 53.3 p -64.94 -35.28 80.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.517 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -63.69 -41.92 98.08 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.087 0.47 . . . . 0.0 110.559 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -61.49 -43.49 98.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.652 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.68 -38.67 82.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.412 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.49 -44.73 96.48 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -66.1 -40.25 90.59 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.299 0.571 . . . . 0.0 110.452 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.06 -41.77 94.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.361 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.4 mmt -60.57 -41.21 94.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.7 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -59.18 -41.42 88.44 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.328 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 25.3 mtm -62.77 -38.2 89.67 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.066 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.91 -8.49 44.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.597 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.2 5.83 72.3 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -118.35 154.01 33.07 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.942 0.401 . . . . 0.0 110.295 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -140.22 72.08 32.96 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -63.51 151.14 86.42 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 123.259 2.639 . . . . 0.0 111.955 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 60.7 p -64.2 151.01 91.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.898 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . 0.487 ' HA ' HD21 ' C' ' 57' ' ' LEU . 58.7 Cg_exo -49.52 -36.57 40.22 Favored 'Trans proline' 0 N--CA 1.5 1.895 0 C-N-CA 122.387 2.058 . . . . 0.0 112.3 179.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -69.85 -38.39 76.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.073 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -61.04 -50.73 72.13 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . 0.487 HD21 ' HA ' ' C' ' 54' ' ' PRO . 2.8 pp -71.68 -40.07 69.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.08 0.467 . . . . 0.0 110.657 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . 0.487 ' N ' HD12 ' C' ' 57' ' ' LEU . 53.0 tt0 -61.35 -43.4 98.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.269 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -64.01 -41.53 97.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.541 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . 0.531 ' O ' HG22 ' C' ' 64' ' ' VAL . 2.4 ttt -59.63 -45.46 91.9 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.487 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.22 -40.59 89.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.268 0.556 . . . . 0.0 110.458 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -64.94 -42.36 94.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.911 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.86 -46.67 83.96 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.945 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . 0.531 HG22 ' O ' ' C' ' 60' ' ' MET . 33.9 m -74.3 -20.47 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.744 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.505 ' OD2' ' N ' ' C' ' 70' ' ' GLY . 6.2 t0 -43.37 124.76 3.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.887 0.375 . . . . 0.0 110.247 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -84.78 -51.4 6.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.163 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 59.6 p30 -94.59 -0.76 54.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.905 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.24 16.92 69.61 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 97.4 p -70.18 -16.87 63.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.849 0.357 . . . . 0.0 110.86 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . 0.505 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 92.98 -4.51 74.99 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 68.8 p -132.66 166.26 22.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.735 0.302 . . . . 0.0 110.593 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 12.7 m -113.8 115.92 51.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.328 0.585 . . . . 0.0 110.844 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -74.59 -173.55 1.82 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.415 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -58.99 -46.26 88.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.435 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -65.65 -41.05 93.02 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.489 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.41 -39.42 94.44 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.418 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -60.64 -48.83 80.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.92 0.39 . . . . 0.0 111.153 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 4.4 tp -59.41 -62.06 2.16 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.296 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 15.0 p -53.74 -34.02 24.04 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.392 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 49.6 mmm -63.01 -40.7 98.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.625 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -56.34 17.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.105 0.478 . . . . 0.0 111.317 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 28.1 m -61.64 -29.69 46.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.153 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 80.1 ttt-85 . . . . . 0 C--N 1.33 -0.258 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.272 179.858 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 27.5 mm . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.902 0.382 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 37.1 t -71.13 143.93 50.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.803 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.6 -38.47 91.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.748 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -57.63 -45.2 85.72 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.938 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.22 -40.24 95.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.832 0.349 . . . . 0.0 110.351 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 52.1 ttm -60.14 -46.18 90.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.015 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 11.0 ttm -60.09 -45.47 92.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -61.62 -45.01 95.88 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.695 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.55 -40.19 95.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.966 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.91 -48.88 79.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.664 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 2.0 tt -78.33 -32.83 49.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.821 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.523 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -178.849 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.883 0.373 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.66 -49.94 74.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.156 -178.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.24 -34.21 68.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -61.74 -39.57 92.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.478 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -86.5 -40.28 15.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.673 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt -80.03 150.29 30.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.635 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 68.7 p -102.46 170.41 8.07 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.601 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.47 -36.43 75.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.285 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -59.89 -40.13 87.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.58 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -62.95 -42.57 99.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.513 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 5.4 tptm -62.88 -42.43 99.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.485 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -60.03 -39.67 86.7 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.242 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . 0.544 ' N ' ' OE1' ' C' ' 19' ' ' GLU . 0.0 OUTLIER -59.66 -48.07 83.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.668 179.857 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -71.08 -27.05 63.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.578 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -60.07 -42.07 93.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.337 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.87 -43.2 94.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.613 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.15 -38.76 91.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.733 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -57.4 -39.65 76.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.541 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -60.66 -38.93 86.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.161 0.505 . . . . 0.0 110.396 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -72.28 -39.43 63.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.242 0.544 . . . . 0.0 110.81 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . 0.498 ' C ' ' H ' ' C' ' 29' ' ' LEU . 2.4 m-85 -56.5 -41.71 77.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.993 -178.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.416 HG11 ' O ' ' C' ' 34' ' ' GLY . 27.3 m -73.4 28.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . 0.649 ' O ' HD12 ' C' ' 29' ' ' LEU . 3.4 pp -51.76 128.78 24.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.394 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.38 -6.06 58.4 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -108.7 99.56 8.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.811 0.338 . . . . 0.0 110.54 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -70.91 -27.38 63.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.395 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -65.45 -26.83 68.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.522 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . 0.416 ' O ' HG11 ' C' ' 28' ' ' VAL . . . 95.15 6.32 60.23 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 56.0 m -96.76 148.97 22.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 110.499 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 89.8 mt -103.74 119.72 52.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . 0.423 ' OG ' ' OE1' ' C' ' 40' ' ' GLU . 83.1 p -83.3 167.28 17.76 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.547 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 81.1 p -64.04 -30.62 71.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.293 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.19 -42.27 99.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.442 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . 0.423 ' OE1' ' OG ' ' C' ' 37' ' ' SER . 2.4 mp0 -63.8 -46.82 83.42 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.733 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.2 -38.67 92.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.833 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.26 -40.72 97.75 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.85 -41.05 97.88 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.73 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 80.5 t -62.63 -48.64 87.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.077 0.465 . . . . 0.0 110.455 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . 0.565 ' CE ' HD21 ' C' ' 57' ' ' LEU . 66.1 mtm -64.23 -40.12 95.39 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.057 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 11.8 mtm180 -53.67 -45.07 70.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.491 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 78.5 mtm -66.21 -32.72 74.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.348 178.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 8.0 tp -57.28 -21.98 38.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.392 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.89 9.99 41.35 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -107.15 173.7 6.21 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.268 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -113.76 96.65 41.73 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -78.03 154.46 29.39 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 C-N-CA 122.856 2.371 . . . . 0.0 112.077 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.22 124.9 21.59 Favored Pre-proline 0 N--CA 1.448 -0.564 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.305 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -49.95 -35.45 40.77 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.637 2.224 . . . . 0.0 111.895 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -67.66 -47.21 70.19 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.848 0.356 . . . . 0.0 110.644 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -68.66 -39.3 80.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.603 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . 0.565 HD21 ' CE ' ' C' ' 45' ' ' MET . 5.7 mt -59.58 -48.34 82.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? -63.74 -42.11 97.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.691 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -65.16 -44.19 89.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.412 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 16.6 tpt -63.73 -44.79 92.51 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.5 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 82.3 mt -62.94 -39.05 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.442 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -57.37 -44.47 84.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.407 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.18 -41.36 97.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.575 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 69.9 t -71.25 -38.81 71.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.348 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.429 ' OD2' ' N ' ' C' ' 70' ' ' GLY . 0.1 OUTLIER -38.71 105.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.101 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -89.0 -42.46 11.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.523 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.1 p30 -93.63 -1.06 55.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.831 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.73 19.55 69.43 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 96.6 p -67.03 -20.87 65.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.348 . . . . 0.0 110.626 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . 0.429 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 92.24 -5.59 78.18 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . 0.427 ' O ' ' OE1' ' C' ' 76' ' ' GLU . 80.7 p -131.61 165.54 23.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.751 0.31 . . . . 0.0 110.723 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 3.5 m -87.62 104.05 14.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.644 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.44 -173.52 3.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.525 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -59.82 -46.91 87.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.803 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 30.3 p-10 -69.89 -44.95 68.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.721 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.45 ' N ' ' OD1' ' C' ' 75' ' ' ASP . 98.6 mt-10 -63.02 -38.88 92.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.597 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -60.04 -45.55 92.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . 0.837 ' O ' HG23 ' C' ' 82' ' ' VAL . 6.7 tp -58.62 -43.15 89.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.555 -179.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.21 -42.46 90.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.746 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 24.4 tpp -58.32 -42.98 87.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.193 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 9.9 ttt -77.5 -28.77 52.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.828 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . 0.837 HG23 ' O ' ' C' ' 78' ' ' LEU . 51.6 t -60.12 -47.29 92.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.177 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . 0.416 ' HG2' ' H ' ' C' ' 83' ' ' ARG . 5.1 ptm85 . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.03 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 77.3 mt . . . . . 0 CA--C 1.527 0.075 0 CA-C-O 120.719 0.295 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 85.5 p -83.39 169.56 15.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.657 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.22 98.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.474 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -64.91 -42.18 94.95 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.512 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.29 -39.34 90.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.532 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 106' ' ' MET . . . . . 0.401 ' SD ' ' C ' ' C' ' 106' ' ' MET . 15.3 tmm? -60.97 -46.0 92.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.672 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 98.1 mtp -62.81 -41.51 99.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.761 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -63.06 -45.4 92.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.623 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.84 -40.01 91.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.746 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 6.7 tp -61.03 -44.83 96.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.461 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 12.2 tp -64.71 -41.54 95.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.341 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.539 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 -179.946 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.787 0.327 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.5 -52.0 67.49 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.289 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.72 -33.43 63.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.166 0.508 . . . . 0.0 110.326 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.16 -32.09 67.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -82.1 6.42 16.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.059 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.699 ' C ' HD12 ' C' ' 12' ' ' LEU . 4.3 pp -50.49 169.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.442 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 75.7 p -119.2 156.13 30.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.31 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.05 -39.54 92.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.488 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -61.3 -43.83 98.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.164 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -64.62 -41.02 96.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.598 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -61.11 -44.32 97.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.828 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -60.28 -44.12 95.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.63 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.52 -43.92 95.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.422 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -65.63 -37.0 85.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.556 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -60.33 -45.2 94.28 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.697 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.1 -45.66 87.65 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.41 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . 0.485 ' O ' HG13 ' C' ' 26' ' ' ILE . . . -65.29 -35.85 82.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.487 0.661 . . . . 0.0 110.036 179.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . 0.692 ' O ' HG23 ' C' ' 28' ' ' VAL . 60.0 t80 -70.02 -38.86 76.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.775 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -60.0 -51.2 70.66 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.973 0.416 . . . . 0.0 111.482 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . 0.485 HG13 ' O ' ' C' ' 23' ' ' ALA . 1.2 pt -64.82 -33.37 62.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.172 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -30.26 65.41 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 120.771 0.319 . . . . 0.0 110.73 179.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.692 HG23 ' O ' ' C' ' 24' ' ' PHE . 53.5 t -74.43 -25.82 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt -50.95 130.34 25.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.698 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.55 -10.59 64.87 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.01 135.94 33.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 110.66 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -80.21 -37.8 32.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -88.75 -7.42 56.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.83 4.57 90.28 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 41.5 m -112.28 155.85 23.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.821 0.344 . . . . 0.0 110.483 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 83.3 mt -62.5 123.07 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.349 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 25.4 m -124.68 179.52 4.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.692 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.7 p -64.89 -28.5 69.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.642 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -61.18 -50.58 72.56 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -66.9 -40.19 87.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.583 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . 0.567 HD22 ' CE ' ' C' ' 45' ' ' MET . 2.9 mt -63.71 -42.01 98.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.201 0.524 . . . . 0.0 110.641 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.93 -41.61 99.67 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -59.18 -50.69 73.06 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.568 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 6.3 p -67.27 -37.26 78.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.822 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . 0.567 ' CE ' HD22 ' C' ' 41' ' ' LEU . 49.5 mtt -61.03 -47.29 87.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.94 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 35.1 mtm180 -65.25 -38.49 90.51 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.747 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . 0.522 ' C ' ' H ' ' C' ' 49' ' ' GLY . 62.4 ttp -58.56 -37.9 76.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.51 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 22.9 mt -67.11 13.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . 0.522 ' H ' ' C ' ' C' ' 47' ' ' MET . . . 74.84 42.2 31.6 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -126.14 164.08 21.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.95 0.405 . . . . 0.0 110.523 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -141.23 61.74 14.62 Favored Pre-proline 0 C--N 1.326 -0.421 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.712 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.05 152.51 28.03 Favored 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.795 2.33 . . . . 0.0 112.311 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.77 155.62 75.54 Favored Pre-proline 0 C--N 1.324 -0.503 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -50.26 -43.45 43.35 Favored 'Trans proline' 0 N--CA 1.498 1.767 0 C-N-CA 122.14 1.893 . . . . 0.0 112.181 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -72.63 -33.94 66.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.076 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -58.85 -55.06 40.02 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.426 -178.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.56 -35.93 79.97 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.201 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -58.65 -40.3 83.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.995 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -70.97 -38.08 72.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.435 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 96.5 mtp -60.68 -46.05 91.83 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . 0.559 HD12 HD12 ' C' ' 41' ' ' LEU . 13.7 tt -68.12 -34.0 64.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.253 179.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -60.78 -47.85 84.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.621 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.14 -42.76 83.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.637 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' C' ' 65' ' ' ASP . 55.1 t -62.85 -38.74 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.551 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' C' ' 68' ' ' GLY . 11.0 t0 -34.92 146.04 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 O-C-N 123.595 0.559 . . . . 0.0 110.646 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . 0.647 ' OE2' HG11 ' C' ' 79' ' ' VAL . 17.5 tt0 -82.02 -51.22 8.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.488 -178.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 56.2 p30 -102.89 4.75 37.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.087 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' C' ' 65' ' ' ASP . . . 71.82 19.27 78.04 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 99.4 p -69.07 -16.43 63.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.714 0.293 . . . . 0.0 110.652 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . 0.425 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 83.42 1.32 90.27 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 11.6 m -139.37 140.4 37.45 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 96.3 t -104.6 123.31 58.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.532 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . 0.426 ' H ' ' HB3' ' C' ' 76' ' ' GLU . 87.5 m-20 -97.34 175.98 6.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.769 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -58.36 -49.93 75.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.605 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 36.5 p-10 -64.86 -42.46 94.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.584 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.494 ' N ' ' OD1' ' C' ' 75' ' ' ASP . 87.4 tt0 -64.87 -36.42 84.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.495 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -58.88 -47.78 83.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.379 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 6.9 mp -60.48 -47.26 86.92 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.741 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . 0.647 HG11 ' OE2' ' C' ' 66' ' ' GLU . 53.5 t -62.76 -44.67 99.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.088 0.47 . . . . 0.0 110.249 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . 0.415 ' C ' ' SD ' ' C' ' 80' ' ' MET . 18.5 tmm? -60.77 -42.87 98.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.642 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -60.99 2.59 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.692 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 27.0 m -60.58 -28.13 41.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.027 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 18.3 ttp180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.453 -179.728 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 30.0 pt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.837 0.351 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 75.7 m -92.66 160.08 15.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.573 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.66 90.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.66 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 104' ' ' ASP . . . . . 0.409 ' O ' ' HG3' ' C' ' 107' ' ' MET . 4.7 p-10 -62.91 -39.2 93.81 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 121.197 0.523 . . . . 0.0 110.31 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.54 -38.76 74.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.099 0.476 . . . . 0.0 110.839 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 28.6 ttt -60.99 -48.92 79.58 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.836 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 107' ' ' MET . . . . . 0.461 ' C ' ' SD ' ' C' ' 107' ' ' MET . 1.3 ppp? -66.55 -38.09 86.37 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.44 -179.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -64.63 -42.05 95.74 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.855 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.31 -42.43 99.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.754 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.8 -38.63 91.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.622 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 111' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' C' ' 111' ' ' LEU . 4.1 mm? -88.55 -0.81 57.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.101 0.476 . . . . 0.0 110.657 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.505 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.611 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 6.7 m80 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -104.18 -36.72 7.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.749 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 46.8 m170 57.31 -148.99 0.47 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.33 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' -10' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' C' ' -8' ' ' HIS . 58.7 t60 -149.19 125.06 10.56 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -97.91 -63.87 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.225 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' -8' ' ' HIS . . . . . 0.562 ' O ' ' CD2' ' C' ' -10' ' ' HIS . 22.6 m-70 -60.55 152.85 24.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -85.74 4.25 86.06 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . 69.43 16.92 72.02 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 3.7 tp 48.88 30.79 2.86 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.388 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' -4' ' ' VAL . . . . . 0.734 ' O ' HG13 ' C' ' -4' ' ' VAL . 11.0 p -133.12 74.64 72.9 Favored Pre-proline 0 C--O 1.232 0.142 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.649 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.55 150.99 65.48 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.977 2.452 . . . . 0.0 111.767 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 58.81 179.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.521 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . 85.47 -4.21 86.02 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 0' ' ' SER . . . . . 0.546 ' C ' ' H ' ' C' ' 2' ' ' ASP . 49.1 m -149.13 -120.39 0.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.785 0.326 . . . . 0.0 110.538 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 67.64 -12.49 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.628 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . 0.546 ' H ' ' C ' ' C' ' 0' ' ' SER . 98.5 m-20 -60.5 -37.87 82.49 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.368 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' C' ' 3' ' ' ASP . 23.4 p-10 -58.64 -41.79 86.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.659 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 87.5 mt -61.93 -45.71 98.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 110.385 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -65.54 -39.58 91.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.523 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -62.5 -42.89 99.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.58 99.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.888 0.375 . . . . 0.0 110.511 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' C' ' 12' ' ' LEU . . . -62.51 -41.53 98.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.422 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.462 ' O ' ' O ' ' C' ' 12' ' ' LEU . 53.0 t -63.21 -42.84 97.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.989 0.423 . . . . 0.0 110.717 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -63.81 -39.04 93.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.06 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -86.65 -31.02 21.31 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.264 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' C' ' 8' ' ' ALA . 39.6 mt -112.82 134.7 54.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.994 0.426 . . . . 0.0 110.578 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 69.2 p -85.82 171.75 11.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.49 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -60.22 -44.61 95.04 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.474 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.63 -40.62 92.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.146 0.498 . . . . 0.0 110.139 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -65.3 -38.86 91.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.225 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -59.41 -42.75 92.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.997 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -62.02 -40.44 95.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.007 0.432 . . . . 0.0 110.05 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -63.22 -40.13 96.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.946 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -57.29 -46.23 83.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.459 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.19 -39.98 88.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.511 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.19 -43.31 99.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 110.331 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.6 -40.61 97.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.519 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . 0.806 ' O ' HG23 ' C' ' 28' ' ' VAL . 81.3 t80 -60.41 -44.04 96.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.434 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -59.74 -41.91 92.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.533 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.58 -44.14 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.054 0.455 . . . . 0.0 110.329 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . 0.447 ' O ' ' OE1' ' C' ' 40' ' ' GLU . 8.1 m-85 -66.98 -30.98 71.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.387 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.806 HG23 ' O ' ' C' ' 24' ' ' PHE . 95.1 t -71.69 -25.33 24.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.35 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 mt -67.51 126.91 30.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.519 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.21 -1.82 86.5 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.33 123.86 18.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 110.366 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -66.13 -43.18 87.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 54.4 p-10 -107.72 12.38 27.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.71 -4.96 85.82 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 56.8 m -128.79 151.03 50.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.848 0.356 . . . . 0.0 110.602 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 11.1 tt -42.05 138.65 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.448 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 15.9 t -141.0 -166.75 2.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.478 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.0 p -67.16 -38.32 85.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.403 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -66.73 -42.05 86.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.723 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' C' ' 27' ' ' PHE . 9.6 tp10 -65.11 -49.69 69.0 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.285 0.564 . . . . 0.0 110.823 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . 0.402 ' O ' HG12 ' C' ' 44' ' ' VAL . 27.2 tp -67.21 -39.28 86.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.699 0.761 . . . . 0.0 109.411 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.87 -33.89 88.44 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -59.92 -48.91 79.77 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.151 0.501 . . . . 0.0 110.677 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . 0.402 HG12 ' O ' ' C' ' 41' ' ' LEU . 3.4 p -66.14 -33.09 61.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.481 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.0 mmt -63.34 -41.38 98.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.648 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 mtp-105 -62.49 -40.92 98.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.083 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 27.0 ttp -61.56 -41.25 97.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.675 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 90.8 mt -67.35 -12.36 59.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.426 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.9 7.43 57.56 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -98.94 148.95 23.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.65 0.262 . . . . 0.0 110.363 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -132.34 70.93 79.83 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.181 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -72.77 147.34 44.49 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.711 2.274 . . . . 0.0 112.527 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 74.2 p -72.66 152.6 91.52 Favored Pre-proline 0 N--CA 1.45 -0.466 0 C-N-CA 120.117 -0.633 . . . . 0.0 111.006 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.61 -37.16 63.02 Favored 'Trans proline' 0 N--CA 1.498 1.738 0 C-N-CA 122.171 1.914 . . . . 0.0 112.052 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -64.2 -39.94 95.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.822 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.46 -40.88 98.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.342 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 98.3 mt -67.65 -40.16 84.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.683 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -63.74 -42.62 97.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.618 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.45 -39.97 92.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 15.1 mmt -61.03 -43.76 98.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . 0.593 HG22 ' OD2' ' C' ' 65' ' ' ASP . 96.6 mt -65.27 -45.23 94.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.295 0.569 . . . . 0.0 110.298 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -62.72 -40.35 96.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -66.05 -43.34 87.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.48 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -81.11 -20.79 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.83 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.593 ' OD2' HG22 ' C' ' 61' ' ' ILE . 13.6 m-20 -57.2 140.62 49.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.061 0.458 . . . . 0.0 110.544 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -70.41 -44.72 67.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.58 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 48.3 p-10 -111.85 3.83 17.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.13 24.3 76.66 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 93.2 p -62.45 -22.69 66.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.726 0.298 . . . . 0.0 110.761 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.78 -12.45 65.92 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 62.7 m -134.34 137.56 44.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.757 0.313 . . . . 0.0 110.238 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 42.2 t -98.3 118.54 45.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' C' ' 75' ' ' ASP . 2.6 p30 -87.01 -176.46 5.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.628 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -58.6 -49.28 78.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . 0.537 ' N ' ' OD1' ' C' ' 73' ' ' ASP . 35.3 t70 -61.03 -48.81 80.06 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.055 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.47 -39.82 94.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.621 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -64.85 -40.74 95.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.774 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . 0.576 ' O ' HD23 ' C' ' 78' ' ' LEU . 2.6 tt -60.76 -52.21 66.08 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.978 0.418 . . . . 0.0 111.1 -179.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 35.3 m -67.52 -31.63 53.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.664 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 65.6 ttp -61.32 -44.12 97.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.412 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 5.6 tpt -64.71 -42.9 94.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.961 0.41 . . . . 0.0 110.144 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.47 -42.52 96.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.465 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . 0.46 ' HE ' ' HE2' ' C' ' 86' ' ' LYS . 2.1 mtp180 -61.22 -41.86 97.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.724 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 84' ' ' 4J4 . . . . . 0.419 ' CAR' ' CAN' ' C' ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 16.7 mmt -66.07 -52.81 45.42 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.245 0.545 . . . . 0.0 111.785 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . 0.46 ' HE2' ' HE ' ' C' ' 83' ' ' ARG . 33.7 pttt -73.09 -31.91 64.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.994 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -60.41 -46.4 90.16 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.299 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -64.23 -40.92 97.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.361 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 46.8 t -62.13 -44.51 96.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.557 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -62.38 -45.02 95.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.605 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 91' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -90.82 89.65 7.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.499 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.66 -46.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.736 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 44.4 -102.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.619 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -158.23 157.77 33.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 46.38 89.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.59 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -76.47 174.89 53.48 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . 0.663 ' O ' HG23 ' C' ' 99' ' ' VAL . 73.7 mtp180 -127.61 153.3 46.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.782 0.325 . . . . 0.0 110.445 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -57.78 98.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.202 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . 0.663 HG23 ' O ' ' C' ' 97' ' ' ARG . 64.2 t -105.65 101.28 12.17 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.162 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 100' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' C' ' 99' ' ' VAL . 89.9 mtm180 34.31 -92.87 0.01 OUTLIER 'General case' 0 C--O 1.232 0.154 0 O-C-N 123.694 0.621 . . . . 0.0 110.502 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 101' ' ' ILE . . . . . 0.617 ' O ' HD12 ' C' ' 101' ' ' ILE . 1.0 OUTLIER -138.82 151.61 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.65 179.822 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 56.9 m -85.31 148.61 25.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.625 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.44 94.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.418 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -62.89 -42.6 99.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.438 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.67 -44.06 96.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.627 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 65.9 ttp -63.42 -42.96 98.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.546 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 1.6 ttp -60.63 -44.32 96.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.372 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -63.67 -40.07 95.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.437 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.66 -40.8 96.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.66 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.43 -40.49 97.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.476 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 2.5 mp -72.22 -31.45 65.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.718 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . 62.79 -132.23 43.64 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.47 140.41 42.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.805 0.336 . . . . 0.0 110.794 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -64.8 138.54 58.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.144 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -147.68 127.89 13.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.739 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -129.4 13.43 6.05 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.941 0.4 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' C' ' 120' ' ' ASP . 39.9 mt-10 -62.13 -11.79 16.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.315 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 47.8 t -59.82 -43.17 94.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.323 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 2.0 tt -65.48 -43.14 91.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.813 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' C' ' 117' ' ' GLU . 0.2 OUTLIER -107.17 113.37 26.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.611 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 2.0 mp -104.66 -50.97 3.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.068 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . 0.704 ' H ' HH11 ' C' ' 122' ' ' ARG . 0.0 OUTLIER -62.54 -40.61 97.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.745 -179.512 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -104.55 133.07 50.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.112 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 124' ' ' HIS . . . . . 0.485 ' ND1' ' O ' ' C' ' 124' ' ' HIS . 30.9 p80 -111.33 118.48 35.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 58.2 tp -130.94 115.51 16.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.253 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.464 179.666 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' -13' ' ' HIS . . . . . 0.482 ' HA ' ' H ' ' C' ' -6' ' ' GLY . 69.2 m80 . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.43 20.54 11.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.614 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -93.86 128.11 39.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.739 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -64.0 -12.54 39.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.552 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -82.56 70.3 9.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.52 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' -8' ' ' HIS . . . . . 0.437 ' O ' ' CG ' ' C' ' -8' ' ' HIS . 18.8 t-80 57.5 42.55 24.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.771 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -75.7 -174.13 35.61 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' -6' ' ' GLY . . . . . 0.482 ' H ' ' HA ' ' C' ' -13' ' ' HIS . . . -59.31 -39.56 94.84 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' -5' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' C' ' -5' ' ' LEU . 3.8 mm? -73.54 149.71 42.01 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.732 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' -4' ' ' VAL . . . . . 0.501 ' C ' ' H ' ' C' ' -2' ' ' ARG . 28.4 t -134.52 79.79 52.99 Favored Pre-proline 0 C--O 1.233 0.203 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.556 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -65.12 34.33 0.11 Allowed 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.888 2.392 . . . . 0.0 112.26 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' -2' ' ' ARG . . . . . 0.501 ' H ' ' C ' ' C' ' -4' ' ' VAL . 19.3 mmt85 50.92 -130.62 2.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.556 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . -81.7 62.4 4.52 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.14 177.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.666 0.27 . . . . 0.0 110.527 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.521 ' SD ' ' CG ' ' C' ' 66' ' ' GLU . 17.8 mtp -105.7 -6.08 19.44 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.235 0.541 . . . . 0.0 110.775 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -58.12 -36.8 73.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.321 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -59.45 -39.47 83.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.485 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . 0.416 HG21 HG13 ' C' ' 79' ' ' VAL . 94.8 mt -61.2 -46.64 96.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.078 0.466 . . . . 0.0 110.169 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -61.12 -47.51 85.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.816 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 11.8 mmtm -61.32 -39.87 92.09 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.49 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.72 92.22 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.574 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.33 -48.18 82.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.944 0.402 . . . . 0.0 111.485 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.24 -36.04 73.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.571 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -69.61 -44.77 70.02 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.811 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -71.05 -40.34 71.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.639 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 86.7 mt -86.19 144.64 27.36 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.429 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 48.2 p -103.17 -179.75 4.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.616 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -58.0 -42.14 84.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.323 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.97 -46.67 89.8 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.386 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . 0.503 ' NE2' ' N ' ' C' ' 16' ' ' GLN . 0.9 OUTLIER -63.82 -39.17 93.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.052 0.453 . . . . 0.0 110.382 179.673 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -60.96 -40.41 93.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.51 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -61.12 -43.09 99.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.18 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.36 -39.37 94.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.54 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -63.14 -44.41 95.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.717 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.89 -41.1 97.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.975 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.59 -46.5 89.61 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.573 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.66 -40.76 95.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.452 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . 0.544 ' O ' HG22 ' C' ' 28' ' ' VAL . 42.5 t80 -64.7 -38.92 92.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.346 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -59.54 -43.79 93.39 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.342 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 98.3 mt -70.5 -41.18 78.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.124 0.488 . . . . 0.0 110.333 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -41.22 89.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.822 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.544 HG22 ' O ' ' C' ' 24' ' ' PHE . 10.3 m -90.96 24.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 63.3 tp -62.52 125.61 24.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.263 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.02 -10.93 73.4 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -112.29 91.78 3.78 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.974 0.416 . . . . 0.0 110.274 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -62.51 -19.87 64.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.344 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -63.76 -24.48 67.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.556 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.58 14.11 82.33 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 68.5 m -115.57 146.54 41.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.683 0.278 . . . . 0.0 110.536 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.416 ' CD1' HG12 ' C' ' 28' ' ' VAL . 12.5 mm -83.14 122.57 37.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.084 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 22.6 t -121.12 -164.62 1.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.416 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 66.7 p -66.36 -36.97 84.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.314 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.32 -43.17 95.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.86 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.06 -48.02 77.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.019 0.438 . . . . 0.0 110.785 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.59 -37.26 73.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.548 0.69 . . . . 0.0 110.575 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.04 -32.57 71.31 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -58.77 -44.5 90.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.846 0.355 . . . . 0.0 110.296 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 52.9 t -62.66 -41.49 92.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.025 0.441 . . . . 0.0 109.997 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.3 mmt -59.7 -42.45 93.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.244 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -64.12 -37.01 85.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.363 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 53.6 ttm -56.52 -43.65 80.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.746 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.52 -7.83 55.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.494 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.66 13.37 59.68 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -103.71 136.31 43.65 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -128.58 81.39 70.76 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-O 120.935 0.398 . . . . 0.0 110.287 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . 0.582 ' HG2' HD21 ' C' ' 57' ' ' LEU . 56.6 Cg_endo -76.13 161.69 35.12 Favored 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.869 2.379 . . . . 0.0 112.639 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 29.8 p -67.35 150.68 97.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.656 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -63.58 -29.04 70.05 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 122.485 2.123 . . . . 0.0 112.158 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -65.05 -41.87 94.76 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 121.562 0.696 . . . . 0.0 110.645 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -70.9 -35.7 72.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.595 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . 0.582 HD21 ' HG2' ' C' ' 52' ' ' PRO . 86.9 mt -60.84 -45.16 95.61 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.298 -178.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -68.82 -33.52 73.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.606 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -62.99 -41.47 99.58 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.808 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 67.7 mtt -64.14 -40.98 97.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 38.2 mm -63.63 -43.41 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.698 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -58.77 -47.26 85.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.389 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -63.89 -43.55 95.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.004 0.431 . . . . 0.0 110.931 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' C' ' 65' ' ' ASP . 58.2 t -66.54 -39.17 83.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.961 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 50.2 t0 -35.27 142.77 0.05 Allowed 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.747 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . 0.581 ' OE2' HG11 ' C' ' 79' ' ' VAL . 42.5 tt0 -84.74 -50.58 7.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.303 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -103.17 2.59 34.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.016 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.01 23.84 74.46 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . 0.461 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 95.4 p -63.81 -19.45 65.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 0.0 110.777 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.0 -11.17 71.21 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 92.4 m -139.06 141.75 38.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.657 0.265 . . . . 0.0 110.764 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 92.8 t -101.24 122.6 53.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.495 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -101.8 -177.93 3.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.643 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -59.49 -47.06 86.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.737 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -59.32 -49.55 77.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.9 -38.08 89.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.665 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -59.16 -48.07 82.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.824 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.69 -45.08 93.18 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.374 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . 0.581 HG11 ' OE2' ' C' ' 66' ' ' GLU . 53.3 t -62.84 -46.18 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.88 0.371 . . . . 0.0 110.861 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 40.8 mtp -62.6 -40.77 97.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 9.2 tpt -61.94 -44.41 96.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.417 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.92 -45.56 94.41 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.149 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.161 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -59.33 -41.15 88.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.146 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 78.3 mtm -62.92 -40.2 96.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -61.37 -46.33 90.63 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.147 0.499 . . . . 0.0 110.284 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -64.71 -42.21 95.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.491 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -60.97 -37.98 84.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.379 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 60.9 m -59.38 -45.62 90.96 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.507 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.91 -40.74 95.54 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.638 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 91' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' C' ' 95' ' ' GLN . 0.1 OUTLIER 40.92 29.79 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.369 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 95.6 mt 46.17 65.09 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.7 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 48.0 t80 67.06 -73.79 0.07 Allowed 'General case' 0 N--CA 1.463 0.214 0 O-C-N 123.47 0.481 . . . . 0.0 110.657 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -150.18 81.51 1.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.349 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 95' ' ' GLN . . . . . 0.488 ' O ' ' ND2' ' C' ' 91' ' ' ASN . 32.0 tt0 -118.14 125.08 49.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.673 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.6 6.32 44.88 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.43 151.59 47.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.908 0.385 . . . . 0.0 110.908 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 50.1 -124.89 2.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.687 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 33.1 m -51.42 134.91 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.328 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -133.36 0.65 3.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.816 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 91.4 mt -114.39 125.92 71.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.437 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 68.3 m -70.69 153.32 42.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.57 91.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.824 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -58.2 -45.51 87.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.57 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.18 -41.24 97.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 110.39 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 48.0 tpp -67.06 -40.25 87.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.501 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 61.7 ttp -60.29 -46.87 88.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.708 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -61.33 -45.57 93.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.487 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 109' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' C' ' 112' ' ' GLY . . . -63.87 -39.35 93.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.533 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 25.2 tp -68.09 -41.62 81.59 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.548 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.99 -50.22 17.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.489 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 112' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' C' ' 109' ' ' ALA . . . -114.73 178.69 18.12 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' C' ' 112' ' ' GLY . . . 66.0 138.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.912 0.387 . . . . 0.0 110.505 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 59.56 3.9 0.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.624 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . 0.453 ' H ' ' C ' ' C' ' 113' ' ' ALA . . . -73.48 149.46 42.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.729 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -69.27 124.33 23.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.753 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -78.04 -23.72 48.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.753 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 74.6 m -62.38 -41.28 98.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.541 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 119' ' ' LEU . . . . . 0.41 ' O ' ' OD2' ' C' ' 120' ' ' ASP . 0.5 OUTLIER -96.82 -55.32 2.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' C' ' 121' ' ' LEU . 0.0 OUTLIER 55.07 173.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.57 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . 0.44 ' N ' ' OD1' ' C' ' 120' ' ' ASP . 77.9 mt -83.32 69.2 9.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.366 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 49.31 63.86 1.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.63 0.728 . . . . 0.0 110.642 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . 0.431 ' HB2' ' CG ' ' C' ' 120' ' ' ASP . . . -63.72 148.41 49.17 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.585 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 124' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' C' ' 123' ' ' ALA . 19.4 t-80 58.74 116.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.605 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 23.6 mt -70.47 138.47 51.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.297 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 64.2 mttp . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.902 -1.047 . . . . 0.0 110.488 179.93 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 20.4 m80 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -118.41 117.22 28.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.3 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' -11' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' C' ' -9' ' ' HIS . 20.0 m80 42.19 -144.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.521 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' -10' ' ' HIS . . . . . 0.462 ' CG ' ' N ' ' C' ' -9' ' ' HIS . 12.5 t-160 40.07 -98.51 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.548 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' -9' ' ' HIS . . . . . 0.462 ' N ' ' CG ' ' C' ' -10' ' ' HIS . 0.2 OUTLIER -97.92 97.06 8.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.441 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -73.26 164.4 26.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.385 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -159.24 179.05 35.13 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . 113.27 95.52 2.17 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 10.3 mt -107.14 17.93 22.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.519 0.2 . . . . 0.0 110.705 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 14.5 t -129.1 81.63 70.26 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.317 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.62 146.37 91.83 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.96 2.44 . . . . 0.0 111.734 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.32 174.8 6.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.581 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . 103.96 161.85 24.75 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 3.1 m -130.23 -84.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.686 0.279 . . . . 0.0 110.417 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.57 ' O ' HG22 ' C' ' 4' ' ' ILE . 17.3 mmm -62.59 -23.02 66.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.599 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -61.68 -28.14 69.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.805 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -59.6 -30.07 68.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.439 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . 0.57 HG22 ' O ' ' C' ' 1' ' ' MET . 0.6 OUTLIER -48.26 -31.51 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.728 -179.407 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -59.9 -47.73 84.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.853 0.359 . . . . 0.0 110.252 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -63.63 -42.19 98.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.271 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.45 93.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.09 -46.91 88.01 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.299 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.49 ' O ' ' O ' ' C' ' 12' ' ' LEU . 21.4 m -75.18 -32.54 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.189 0.519 . . . . 0.0 110.42 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -60.19 -39.45 86.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.284 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -88.22 -33.48 18.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.279 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.49 ' O ' ' O ' ' C' ' 9' ' ' VAL . 68.8 mt -110.73 140.05 45.47 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.033 0.444 . . . . 0.0 110.872 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 67.3 p -69.44 156.82 38.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.525 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -64.34 -42.08 96.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.657 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -62.76 -42.63 99.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.691 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -64.19 -38.89 92.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.914 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -63.27 -45.27 92.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.636 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -62.96 -39.69 95.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.658 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.9 -42.61 99.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.634 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -67.45 -35.98 80.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.124 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.66 -47.06 83.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.333 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.42 98.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.906 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.53 94.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.672 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . 0.461 ' CD2' ' CE1' ' C' ' 74' ' ' PHE . 69.3 t80 -58.3 -39.43 79.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.66 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -49.76 -28.96 6.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.536 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.62 -38.96 83.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.378 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -61.03 -29.79 69.93 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.665 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.719 ' O ' HG12 ' C' ' 28' ' ' VAL . 58.5 t -83.69 26.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.424 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 33.1 tp -60.72 101.92 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.014 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.8 39.8 48.02 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.15 135.45 49.35 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.609 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -66.19 -43.22 87.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.519 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -105.08 10.92 33.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.704 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.18 3.77 90.61 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 37.6 m -135.3 176.56 8.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.988 0.423 . . . . 0.0 110.902 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.429 HD12 ' HB ' ' C' ' 72' ' ' VAL . 36.0 mt -69.61 123.62 23.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.723 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 37.7 t -111.81 169.38 8.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.51 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . 0.414 ' H ' HG22 ' C' ' 38' ' ' THR . 0.2 OUTLIER -56.68 -33.9 66.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.474 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -63.08 -42.9 99.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.688 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -70.81 -43.74 68.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.054 0.454 . . . . 0.0 111.042 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 tp -64.61 -27.09 68.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.615 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.08 -38.52 93.14 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -43.96 97.71 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.63 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.18 -46.37 96.76 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.47 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 24.8 mmt -64.74 -37.51 87.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.583 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -53.17 -56.47 16.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.854 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 20.7 ptt? -70.31 -21.33 62.94 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.534 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.502 HD23 HE21 ' C' ' 50' ' ' GLN . 16.4 tp -65.19 -14.6 61.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.192 -179.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.21 9.6 44.33 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . 0.502 HE21 HD23 ' C' ' 48' ' ' LEU . 24.6 mt-30 -124.17 140.39 53.01 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -133.21 58.22 33.02 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.75 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -72.05 159.38 50.22 Favored 'Trans proline' 0 C--N 1.307 -1.613 0 C-N-CA 122.911 2.408 . . . . 0.0 112.451 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 17.8 p -63.82 150.24 91.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.838 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -62.05 -30.93 83.49 Favored 'Trans proline' 0 N--CA 1.492 1.441 0 C-N-CA 122.143 1.896 . . . . 0.0 112.245 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.03 -39.98 95.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.234 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -65.53 -42.01 92.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.548 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 16.5 mt -64.57 -40.88 96.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.044 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -61.73 -43.1 99.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.673 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -63.94 -42.34 97.37 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.074 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 65.7 mtt -63.62 -41.45 98.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.68 -40.75 89.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.426 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -59.86 -41.07 90.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.372 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.69 -45.28 75.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.689 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 72.3 t -67.82 -39.12 81.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.76 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' C' ' 69' ' ' SER . 60.5 t0 -52.38 127.62 22.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.962 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -72.67 -42.54 64.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.545 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -90.78 -1.26 57.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.08 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.83 19.71 67.74 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . 0.535 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 94.3 p -71.37 -16.98 62.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.767 0.317 . . . . 0.0 110.818 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . 0.467 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 86.12 -2.59 87.61 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 70.1 p -131.41 157.28 43.85 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.597 0.237 . . . . 0.0 110.548 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . 0.429 ' HB ' HD12 ' C' ' 36' ' ' ILE . 2.3 t -101.96 112.42 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.917 0.389 . . . . 0.0 110.492 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -85.14 177.27 7.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.524 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . 0.461 ' CE1' ' CD2' ' C' ' 24' ' ' PHE . 5.7 m-85 -59.27 -46.88 87.33 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 1.2 p30 -66.45 -45.29 80.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.904 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.509 ' N ' ' OD1' ' C' ' 75' ' ' ASP . 30.5 tt0 -62.36 -43.7 98.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.827 0.346 . . . . 0.0 110.627 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -61.12 -44.0 98.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.508 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 4.4 tp -55.19 -41.25 71.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.162 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 61.5 t -69.05 -42.6 82.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.939 0.399 . . . . 0.0 110.542 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 18.5 ttp -59.96 -45.19 93.46 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.387 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 10.4 tpp -61.18 -45.65 93.72 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.024 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.46 -45.73 98.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.004 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -60.91 -43.6 98.35 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.67 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 84' ' ' 4J4 . . . . . 0.601 ' SG ' ' N ' ' C' ' 85' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . 0.601 ' N ' ' SG ' ' C' ' 84' ' ' 4J4 . 61.1 tpp -66.84 -38.02 85.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.618 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -52.67 -54.05 38.78 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.572 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -64.44 -46.02 84.98 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.801 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -62.96 -39.02 93.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.586 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 97.9 p -68.12 -41.85 81.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . 0.461 ' O ' ' OD1' ' C' ' 91' ' ' ASN . 57.1 mt-10 -67.73 -49.86 60.35 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.426 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 91' ' ' ASN . . . . . 0.461 ' OD1' ' O ' ' C' ' 90' ' ' GLU . 78.4 m-20 -155.29 -134.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.418 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 38.2 tp -152.31 -38.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.569 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 54.6 -132.8 1.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.411 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.56 -38.52 2.08 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.652 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -104.17 136.71 43.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.802 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . 131.36 105.01 1.01 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 52.17 88.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.979 0.419 . . . . 0.0 110.381 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -96.13 84.05 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.597 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . 0.422 HG12 HD11 ' C' ' 48' ' ' LEU . 23.8 m -134.61 159.0 41.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.426 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 45.3 ptt85 -101.14 26.71 6.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.646 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 21.5 tt -136.42 138.25 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.569 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 26.6 t -89.23 161.78 16.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.01 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.27 83.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.34 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.19 -42.12 94.4 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.16 0.505 . . . . 0.0 109.995 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.88 -39.78 66.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.069 0.462 . . . . 0.0 110.505 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 16.9 tpt -61.57 -49.4 76.79 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.451 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -66.97 -34.02 76.84 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.249 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -61.93 -46.08 90.9 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.495 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.07 -41.6 94.93 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.831 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.89 -40.21 96.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.682 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.45 -16.71 62.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.48 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . 70.42 25.85 75.05 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.83 144.15 55.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.633 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 114' ' ' ARG . . . . . 0.656 ' O ' ' HB3' ' C' ' 115' ' ' ALA . 26.9 mtp-105 -100.85 -150.67 0.39 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.403 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' C' ' 114' ' ' ARG . . . 79.71 172.9 0.15 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.451 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -72.63 142.71 48.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . 0.452 ' O ' ' OD1' ' C' ' 120' ' ' ASP . 94.1 mt-10 -73.18 -34.26 65.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.577 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 86.3 p -60.62 -37.83 82.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.753 -179.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 119' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' C' ' 121' ' ' LEU . 2.3 mp -81.67 -56.67 3.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.739 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' C' ' 117' ' ' GLU . 7.8 p-10 33.12 35.79 0.01 OUTLIER 'General case' 0 C--O 1.232 0.182 0 O-C-N 123.752 0.658 . . . . 0.0 110.491 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' C' ' 119' ' ' LEU . 3.0 tp 61.75 160.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.294 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -70.62 146.72 49.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.319 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.61 118.06 26.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.682 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -138.58 143.64 39.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.313 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 17.3 tp -89.01 112.82 23.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.835 0.35 . . . . 0.0 110.362 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.443 179.881 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' -13' ' ' HIS . . . . . 0.442 ' O ' ' O ' ' C' ' -10' ' ' HIS . 72.6 m-70 . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' -12' ' ' HIS . . . . . 0.452 ' NE2' ' NE2' ' C' ' -11' ' ' HIS . 50.8 p-80 -60.5 -24.44 65.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.645 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' -11' ' ' HIS . . . . . 0.452 ' NE2' ' NE2' ' C' ' -12' ' ' HIS . 84.0 m-70 -67.09 -39.84 86.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.972 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' -10' ' ' HIS . . . . . 0.442 ' O ' ' O ' ' C' ' -13' ' ' HIS . 74.1 m80 -139.97 141.68 36.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.555 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 43.6 p-80 -76.9 169.03 19.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.774 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.83 -48.22 3.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.719 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . 82.41 5.53 89.48 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' -6' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' C' ' -4' ' ' VAL . . . -60.57 -40.6 98.07 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 2.7 tp 60.26 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.784 0.326 . . . . 0.0 110.478 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' -4' ' ' VAL . . . . . 0.527 ' N ' ' O ' ' C' ' -6' ' ' GLY . 43.7 t -145.3 71.38 14.43 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.574 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' -3' ' ' PRO . . . . . 0.571 ' O ' ' N ' ' C' ' -1' ' ' GLY . 68.6 Cg_endo -78.99 64.13 8.79 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.677 2.252 . . . . 0.0 112.126 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 56.38 -74.91 0.01 OUTLIER 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.018 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' -1' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' C' ' -3' ' ' PRO . . . 62.15 -132.32 45.56 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 1.3 t -74.46 -175.27 2.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.765 0.317 . . . . 0.0 110.663 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.68 108.38 19.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.566 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' C' ' 2' ' ' ASP . 66.4 t0 -58.98 -29.56 67.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.602 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -58.18 -41.67 84.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.805 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.25 -43.34 98.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.19 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -63.44 -43.08 98.46 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.274 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -63.2 -44.15 96.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.48 -42.56 98.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.67 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.25 99.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.487 ' O ' ' O ' ' C' ' 12' ' ' LEU . 63.1 t -63.51 -42.71 97.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.452 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.87 -45.65 92.85 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.939 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -71.44 -40.65 70.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' C' ' 9' ' ' VAL . 87.6 mt -89.1 145.69 25.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.8 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 46.0 p -115.7 178.75 4.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.248 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -60.18 -40.61 90.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.847 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . 0.546 ' O ' ' ND2' ' C' ' 18' ' ' ASN . 88.1 tt0 -62.06 -40.89 97.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.147 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -62.66 -40.79 98.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.671 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -61.65 -39.98 93.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.556 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' C' ' 15' ' ' GLU . 0.1 OUTLIER -63.26 -47.81 80.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.273 -179.84 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . 0.472 ' N ' ' CG ' ' C' ' 18' ' ' ASN . 0.8 OUTLIER -65.36 -40.33 93.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.647 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.96 -26.49 68.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.353 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -59.53 -39.72 84.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.207 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.96 97.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.704 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.33 99.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.916 0.388 . . . . 0.0 110.505 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . 0.637 ' O ' HG22 ' C' ' 28' ' ' VAL . 76.4 t80 -60.49 -43.34 97.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.506 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -59.19 -41.4 88.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.722 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.19 -41.75 89.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.95 0.405 . . . . 0.0 110.597 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -63.06 -37.57 87.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.177 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.637 HG22 ' O ' ' C' ' 24' ' ' PHE . 19.0 m -102.49 28.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.81 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . 0.593 HD13 ' N ' ' C' ' 30' ' ' GLY . 0.2 OUTLIER -65.28 121.84 15.73 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.036 -179.867 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . 0.593 ' N ' HD13 ' C' ' 29' ' ' LEU . . . 82.71 12.27 80.3 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.35 111.25 12.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.775 0.321 . . . . 0.0 110.162 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.05 -39.73 95.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.687 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -87.94 -10.19 51.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.631 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.86 -8.22 80.16 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 97.3 p -102.8 159.63 15.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.708 0.289 . . . . 0.0 110.561 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.431 ' H ' HG22 ' C' ' 36' ' ' ILE . 1.9 tt -83.3 121.89 36.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.597 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 10.6 p -120.82 -165.58 1.23 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.357 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 46.8 p -64.84 -38.17 90.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.761 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.73 -44.14 96.98 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.957 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 43.2 mp0 -63.96 -45.02 90.98 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.147 0.499 . . . . 0.0 110.811 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . 0.605 HD22 HD22 ' C' ' 57' ' ' LEU . 2.6 tt -67.34 -40.46 85.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.855 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.69 -39.91 98.06 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -59.19 -45.9 89.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.3 -42.84 95.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.518 -0.473 . . . . 0.0 109.971 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 13.2 mmt -62.26 -41.57 98.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.985 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.71 -39.67 94.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.989 0.423 . . . . 0.0 110.447 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 64.1 ttp -62.07 -40.59 96.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.183 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 7.4 mp -74.04 -3.85 31.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.67 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.9 7.01 66.61 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -95.57 139.17 32.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.729 0.299 . . . . 0.0 110.592 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -131.74 66.21 77.5 Favored Pre-proline 0 N--CA 1.462 0.169 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . 0.485 ' HG2' HD21 ' C' ' 57' ' ' LEU . 51.4 Cg_endo -71.67 152.85 59.51 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 122.601 2.2 . . . . 0.0 112.13 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 21.5 p -70.7 151.97 95.27 Favored Pre-proline 0 C--N 1.323 -0.574 0 C-N-CA 120.354 -0.539 . . . . 0.0 111.234 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.79 -39.84 82.42 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 121.842 1.695 . . . . 0.0 112.714 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . 0.477 ' CG ' ' N ' ' C' ' 56' ' ' GLU . 21.3 pt-20 -62.51 -42.4 99.48 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.827 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . 0.477 ' N ' ' CG ' ' C' ' 55' ' ' GLU . 56.7 mt-10 -64.1 -40.7 96.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.495 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . 0.605 HD22 HD22 ' C' ' 41' ' ' LEU . 92.0 mt -63.16 -42.46 99.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.977 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -64.49 -42.71 95.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.705 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -64.94 -42.19 94.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.502 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 87.5 mtp -62.95 -42.25 99.76 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.812 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 81.2 mt -62.77 -42.73 97.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.594 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -59.7 -41.8 91.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.638 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.25 -44.42 95.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.894 0.378 . . . . 0.0 110.457 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 57.4 t -76.7 -38.48 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 63.8 t0 -42.09 143.39 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.758 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . 0.519 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 50.8 mt-10 -85.95 -43.3 13.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.202 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.9 p30 -105.67 -0.88 25.18 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.129 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . 0.454 ' H ' ' CG ' ' C' ' 65' ' ' ASP . . . 66.87 17.85 67.89 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . 0.47 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 88.2 p -71.57 -15.9 62.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.906 0.384 . . . . 0.0 110.787 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.24 -18.98 56.33 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 84.7 m -134.05 138.7 45.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.556 0.217 . . . . 0.0 110.474 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . 0.808 HG11 ' SD ' ' C' ' 80' ' ' MET . 34.4 m -107.46 134.89 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.991 0.424 . . . . 0.0 110.693 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -88.89 -177.3 5.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.398 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.24 -46.97 87.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.401 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -61.34 -46.69 89.18 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.06 0.457 . . . . 0.0 110.862 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -65.52 -37.46 86.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.384 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -59.04 -47.04 86.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.384 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.02 -42.12 89.4 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.353 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 64.5 t -63.5 -40.53 89.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.535 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . 0.808 ' SD ' HG11 ' C' ' 72' ' ' VAL . 82.3 mtp -59.74 -40.03 86.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.208 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 6.1 tpt -55.12 -58.25 8.42 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.118 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . 0.483 HG13 ' N ' ' C' ' 83' ' ' ARG . 10.7 p -71.95 -40.7 68.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 120.842 0.353 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' C' ' 86' ' ' LYS . 51.2 ttt85 -58.46 -39.6 80.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.882 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 84' ' ' 4J4 . . . . . 0.51 ' C ' ' O ' ' C' ' 83' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 11.8 mtm -65.05 -38.89 92.32 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.313 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . 0.545 ' N ' ' O ' ' C' ' 83' ' ' ARG . 2.2 tmtt? -56.83 -51.8 67.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.761 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' C' ' 83' ' ' ARG . 2.2 p-10 -65.4 -38.05 88.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.863 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -60.33 -45.45 93.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.647 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 72.9 m -63.05 -40.6 98.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.628 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -62.15 -42.66 99.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.545 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 91' ' ' ASN . . . . . 0.553 ' ND2' ' O ' ' C' ' 95' ' ' GLN . 2.4 t30 -60.37 -37.33 80.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.354 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 92' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' C' ' 91' ' ' ASN . 1.6 tp 85.25 -153.75 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.225 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -107.41 15.74 24.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.448 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.17 -67.5 0.51 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.981 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 95' ' ' GLN . . . . . 0.553 ' O ' ' ND2' ' C' ' 91' ' ' ASN . 2.3 mt-30 -123.87 147.67 47.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.599 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -140.77 -71.37 0.04 OUTLIER Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 14.3 ttm105 66.24 0.2 1.62 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 98' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' C' ' 99' ' ' VAL . 65.5 ttp85 -99.92 100.28 11.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.201 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . 0.586 HG12 ' H ' ' C' ' 100' ' ' ARG . 0.4 OUTLIER 40.61 -162.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.419 -179.502 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 100' ' ' ARG . . . . . 0.586 ' H ' HG12 ' C' ' 99' ' ' VAL . 0.0 OUTLIER -134.05 7.63 3.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.654 -179.736 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 22.0 pt -128.67 155.03 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.697 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 83.4 p -73.99 167.09 22.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.648 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.2 -37.99 81.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.435 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -57.88 -49.05 78.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 110.324 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.69 -38.76 92.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.041 0.448 . . . . 0.0 110.588 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.06 -38.32 82.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.424 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 59.0 ttm -57.22 -47.94 80.05 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.106 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -66.05 -42.13 89.9 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.366 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 109' ' ' ALA . . . . . 0.547 ' O ' ' N ' ' C' ' 113' ' ' ALA . . . -63.6 -39.1 93.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.813 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 5.9 tp -58.72 -61.91 2.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.407 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.12 -39.9 95.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.703 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 112' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' C' ' 114' ' ' ARG . . . -77.73 -12.84 84.08 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' C' ' 109' ' ' ALA . . . 49.06 -89.03 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.691 0.282 . . . . 0.0 110.53 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 114' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' C' ' 112' ' ' GLY . 30.4 mtp180 -103.39 154.01 19.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.236 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -44.34 106.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.357 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -171.41 148.07 2.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.688 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -109.56 89.72 3.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.876 0.37 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 47.2 t -63.3 -44.59 94.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.65 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 119' ' ' LEU . . . . . 0.723 ' H ' HD23 ' C' ' 119' ' ' LEU . 0.1 OUTLIER -61.44 -68.89 0.27 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.751 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -77.89 131.59 37.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.507 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 95.3 mt -120.63 121.39 38.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.267 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.88 177.36 7.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.554 -179.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . 54.68 92.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.396 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -70.86 135.24 47.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.049 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 86.7 mt -89.43 143.78 26.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.553 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 63.7 mttp . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.569 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' -13' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' C' ' -11' ' ' HIS . 4.0 t-80 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 85.0 t60 52.18 -91.05 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.476 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' -11' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' C' ' -13' ' ' HIS . 64.5 t-80 -62.94 -44.33 96.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.677 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -73.22 148.12 44.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.728 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -79.6 138.84 37.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.571 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -97.12 -9.17 28.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.325 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -61.48 -40.35 98.57 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . 60.9 -109.24 2.28 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 9.5 mp -72.68 -175.23 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.602 0.239 . . . . 0.0 110.538 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' -4' ' ' VAL . . . . . 0.641 ' O ' HG13 ' C' ' -4' ' ' VAL . 7.6 p -43.38 110.2 0.89 Allowed Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.678 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -75.27 148.28 34.04 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.677 2.251 . . . . 0.0 112.104 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.64 115.13 27.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.369 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . 89.0 160.16 36.15 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.95 -2.23 2.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.802 0.334 . . . . 0.0 110.576 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 31.5 mtp 51.77 23.71 2.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.424 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -60.72 -41.19 94.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.511 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -59.95 -39.6 86.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.482 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . 0.605 ' N ' HD12 ' C' ' 4' ' ' ILE . 1.7 mp -60.35 -47.13 93.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.685 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -66.22 -42.5 88.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.518 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 35.6 tptt -65.54 -43.45 89.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.585 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.05 -43.3 99.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.692 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . 0.545 ' O ' ' N ' ' C' ' 12' ' ' LEU . . . -61.97 -44.4 96.82 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.499 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 75.1 t -67.05 -41.24 86.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.013 0.435 . . . . 0.0 110.656 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -62.82 -44.17 96.85 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.09 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -91.5 -43.05 9.92 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.122 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' C' ' 8' ' ' ALA . 39.2 mt -108.63 159.58 16.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.372 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 58.5 p -102.64 168.2 9.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.394 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.13 -36.62 80.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.388 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -59.83 -42.82 94.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.529 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . 0.454 ' OE1' ' CE ' ' C' ' 107' ' ' MET . 99.5 mm-40 -66.43 -40.5 89.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.759 0.314 . . . . 0.0 110.769 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -62.82 -44.49 96.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.581 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -64.61 -41.16 96.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.671 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -61.34 -40.58 94.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.804 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -61.74 -45.7 92.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.057 0.456 . . . . 0.0 110.431 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -47.38 73.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.424 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.17 93.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.883 0.373 . . . . 0.0 110.812 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.81 -26.03 67.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.738 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . 0.777 ' O ' HG23 ' C' ' 28' ' ' VAL . 91.5 t80 -53.28 -37.35 62.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.352 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -58.18 -40.54 81.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.28 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 48.3 mm -68.44 -42.85 84.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.521 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -65.71 -25.52 67.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.728 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.777 HG23 ' O ' ' C' ' 24' ' ' PHE . 79.6 t -70.93 -22.7 23.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.538 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . 0.44 ' O ' ' OE2' ' C' ' 40' ' ' GLU . 57.5 tp -61.01 124.81 21.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.461 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.15 -11.68 65.56 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.95 122.63 24.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.888 0.375 . . . . 0.0 110.424 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.83 -40.61 97.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.12 -1.92 57.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . 0.585 ' O ' HG13 ' C' ' 28' ' ' VAL . . . 81.58 4.3 90.41 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 67.3 m -122.16 155.48 35.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.845 0.355 . . . . 0.0 110.387 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 71.0 mt -60.58 124.99 15.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.584 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 1.4 m -126.63 -164.11 1.3 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.381 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 97.9 m -61.45 -42.72 99.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.564 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -61.23 -46.0 92.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.44 ' OE2' ' O ' ' C' ' 29' ' ' LEU . 76.2 mm-40 -68.61 -44.31 74.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.943 0.401 . . . . 0.0 110.987 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.19 -26.83 68.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.415 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . 0.459 ' C ' ' NH1' ' C' ' 46' ' ' ARG . . . -58.1 -36.61 82.59 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -59.89 -41.19 91.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.389 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.7 -41.53 92.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.392 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 21.3 mmt -62.24 -39.93 94.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.714 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . 0.459 ' NH1' ' C ' ' C' ' 42' ' ' GLY . 84.5 mtt85 -61.18 -40.13 92.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.225 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 32.1 ttp -62.02 -39.98 94.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.97 0.414 . . . . 0.0 110.677 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.5 mt -73.82 -6.0 44.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.564 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.8 15.45 65.48 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -107.42 135.11 49.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.723 0.297 . . . . 0.0 110.448 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -133.05 61.23 54.68 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.704 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . 0.494 ' HG2' HD11 ' C' ' 57' ' ' LEU . 55.7 Cg_endo -74.15 164.86 33.31 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.965 2.443 . . . . 0.0 112.194 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 75.2 p -64.39 147.71 96.95 Favored Pre-proline 0 N--CA 1.448 -0.552 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.563 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.71 -31.51 39.75 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.467 2.111 . . . . 0.0 112.28 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 58.5 mp0 -63.31 -44.01 96.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.629 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -66.19 -39.95 90.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.413 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . 0.494 HD11 ' HG2' ' C' ' 52' ' ' PRO . 18.0 mt -63.23 -40.53 97.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.894 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.57 -40.86 98.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.516 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -61.3 -42.73 99.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.327 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 21.3 mmt -63.68 -40.92 98.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.697 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . 0.451 ' O ' HG12 ' C' ' 64' ' ' VAL . 0.9 OUTLIER -60.86 -37.33 76.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.278 0.561 . . . . 0.0 110.016 -179.557 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -65.39 -43.28 91.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.944 0.402 . . . . 0.0 110.049 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -72.07 -40.4 68.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.359 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . 0.451 HG12 ' O ' ' C' ' 61' ' ' ILE . 0.3 OUTLIER -59.98 -30.97 46.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.436 -178.632 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.462 ' OD2' ' CA ' ' C' ' 70' ' ' GLY . 99.3 m-20 -56.6 113.99 1.85 Allowed 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.275 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -66.88 -43.01 84.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.699 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 59.8 p30 -94.95 -0.25 54.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.762 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.13 24.97 74.66 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 99.5 p -65.09 -16.11 63.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.758 0.313 . . . . 0.0 110.59 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . 0.462 ' CA ' ' OD2' ' C' ' 65' ' ' ASP . . . 92.21 -6.51 78.54 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 66.5 p -132.07 162.3 31.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.765 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . 0.401 ' O ' HG22 ' C' ' 72' ' ' VAL . 0.7 OUTLIER -101.92 109.08 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.571 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . 0.416 ' CG ' ' N ' ' C' ' 74' ' ' PHE . 18.8 t70 -78.27 170.02 17.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.572 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . 0.416 ' N ' ' CG ' ' C' ' 73' ' ' ASP . 0.0 OUTLIER -57.12 -47.03 82.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.46 -179.788 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . 0.641 ' O ' HG23 ' C' ' 79' ' ' VAL . 98.3 m-20 -60.53 -42.69 97.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.694 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.76 -41.79 91.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.829 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -63.1 -45.34 92.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.332 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 5.1 tp -63.04 -37.27 86.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.431 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . 0.641 HG23 ' O ' ' C' ' 75' ' ' ASP . 55.7 t -60.83 -44.68 98.14 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.426 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 81.5 mmm -63.93 -41.49 97.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.853 0.359 . . . . 0.0 111.367 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . 0.444 ' O ' ' SG ' ' C' ' 84' ' ' 4J4 . 31.3 ttm -61.37 -49.93 74.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.704 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . 0.445 HG23 ' N ' ' C' ' 83' ' ' ARG . 18.4 m -71.34 -38.35 68.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.758 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . 0.445 ' N ' HG23 ' C' ' 82' ' ' VAL . 68.6 ttp85 -61.53 -40.81 96.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.247 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 84' ' ' 4J4 . . . . . 0.577 ' SG ' ' N ' ' C' ' 85' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . 0.577 ' N ' ' SG ' ' C' ' 84' ' ' 4J4 . 24.2 mtt -62.25 -42.45 99.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -62.93 -46.16 89.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.929 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -65.3 -40.23 93.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.399 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -61.14 -36.01 78.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.738 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 75.3 m -57.78 -28.28 63.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.555 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -58.93 -22.06 59.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.297 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 91' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -100.18 129.6 46.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.742 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 3.5 tt -161.88 -21.44 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.94 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -53.57 131.62 38.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.598 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 39.41 -117.87 0.25 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.472 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -105.69 129.81 53.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.55 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.81 -131.32 2.91 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -123.81 114.11 19.45 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.729 0.299 . . . . 0.0 110.252 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -114.54 145.78 41.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.903 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . 0.468 HG12 ' O ' ' C' ' 101' ' ' ILE . 41.2 t -66.2 -45.93 88.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.911 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 71.29 -53.56 0.68 Allowed 'General case' 0 C--N 1.331 -0.224 0 O-C-N 123.29 0.369 . . . . 0.0 110.928 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 101' ' ' ILE . . . . . 0.468 ' O ' HG12 ' C' ' 99' ' ' VAL . 97.2 mt -87.93 128.24 40.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.747 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . 0.437 ' OG ' ' OD2' ' C' ' 104' ' ' ASP . 46.8 t -79.57 145.85 32.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.12 0.486 . . . . 0.0 110.812 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.96 -40.45 95.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.73 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 104' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' C' ' 105' ' ' ALA . 2.0 p30 -60.01 -41.18 91.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.694 -179.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 105' ' ' ALA . . . . . 0.555 ' N ' ' OD1' ' C' ' 104' ' ' ASP . . . -62.22 -38.62 89.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.459 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 87.8 mtp -61.41 -44.46 97.1 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.588 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 107' ' ' MET . . . . . 0.454 ' CE ' ' OE1' ' C' ' 16' ' ' GLN . 76.0 mtm -65.03 -40.82 95.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.867 0.365 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -61.72 -45.52 93.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.985 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.54 91.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 5.4 mp -62.31 -43.71 98.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.44 -20.35 64.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.806 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . 67.66 36.66 88.15 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -69.39 -6.84 32.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.736 0.303 . . . . 0.0 110.595 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 114' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' C' ' 115' ' ' ALA . 91.2 mtm-85 55.67 39.14 30.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.393 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' C' ' 114' ' ' ARG . . . 67.07 27.73 8.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.499 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 116' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' C' ' 115' ' ' ALA . 4.8 mtmt 46.49 -173.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.59 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -89.54 54.97 3.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.529 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 41.2 t -58.96 -37.46 76.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.247 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 46.2 tp -57.16 -38.63 73.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.017 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 43.8 85.08 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.684 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 1.5 mt -60.45 -29.75 69.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.724 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -59.22 124.86 21.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.364 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -176.39 -50.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.568 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 57.3 p-80 -156.78 161.05 39.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.498 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 60.3 tp -132.26 130.29 40.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.629 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.529 179.302 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 43.4 p-80 -114.94 0.3 13.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.631 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' -11' ' ' HIS . . . . . 0.523 ' O ' ' ND1' ' C' ' -11' ' ' HIS . 56.7 t-80 -81.47 10.29 6.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.558 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -62.58 -39.45 93.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.62 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -110.2 168.77 9.19 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.498 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -61.98 -38.88 90.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.534 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -123.88 19.11 7.44 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . 66.0 -147.8 50.48 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 58.6 tp -87.94 118.22 27.33 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.057 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 57.8 t -137.07 95.38 11.97 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.597 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.18 146.68 48.25 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.421 2.081 . . . . 0.0 111.986 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 16.7 mtt-85 -39.33 131.7 1.55 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.697 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . -137.17 -158.58 7.98 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.9 -69.82 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.745 0.307 . . . . 0.0 110.591 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.603 ' HB3' HD12 ' C' ' 4' ' ' ILE . 16.8 mmt -132.04 54.51 1.93 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.651 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -62.52 -37.96 88.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.774 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.78 -43.36 94.44 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.761 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . 0.603 HD12 ' HB3' ' C' ' 1' ' ' MET . 95.7 mt -64.04 -40.99 91.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.308 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -57.99 -48.26 80.55 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.646 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -65.61 -41.42 92.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.001 0.429 . . . . 0.0 110.895 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.52 -41.64 97.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.697 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.98 -42.61 98.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.63 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' C' ' 12' ' ' LEU . 60.4 t -62.87 -39.14 83.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.719 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -58.39 -42.64 87.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.313 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.92 -39.73 19.44 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.579 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' C' ' 9' ' ' VAL . 94.2 mt -79.01 140.26 38.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.544 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 70.3 p -109.06 169.3 8.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.4 -39.28 90.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.326 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.41 -46.83 88.61 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.182 0.515 . . . . 0.0 110.673 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -64.48 -40.31 95.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.246 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -62.39 -39.07 92.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.083 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -59.09 -43.4 91.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.403 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.79 -45.62 93.7 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.215 0.531 . . . . 0.0 110.495 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -66.33 -35.6 80.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.599 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -58.06 -46.73 84.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.53 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.85 -43.86 97.99 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.277 0.561 . . . . 0.0 110.532 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.23 -40.02 94.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.418 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -59.36 -45.11 92.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.732 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -58.25 -42.65 86.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.938 0.399 . . . . 0.0 110.267 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.8 mt -67.4 -38.62 81.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.632 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . 0.761 ' CZ ' HG11 ' C' ' 44' ' ' VAL . 4.7 t80 -56.72 -40.03 74.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.604 -178.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.438 HG11 ' O ' ' C' ' 34' ' ' GLY . 27.6 m -83.84 28.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.583 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.84 120.88 5.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.842 0.353 . . . . 0.0 110.539 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.59 -8.21 74.44 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -115.05 97.93 6.5 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.015 0.436 . . . . 0.0 110.46 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -64.91 -35.74 82.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.562 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -63.0 -26.39 68.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.648 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . 0.438 ' O ' HG11 ' C' ' 28' ' ' VAL . . . 95.16 -7.26 69.36 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 86.9 p -77.48 162.83 26.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.798 0.332 . . . . 0.0 110.513 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 35.0 pt -134.95 144.12 35.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.75 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 4.4 t -132.24 -164.63 1.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.266 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 63.0 p -64.0 -37.01 85.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.491 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -62.23 -47.3 85.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.863 0.363 . . . . 0.0 110.83 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -43.91 88.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.999 0.428 . . . . 0.0 110.314 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . 0.463 ' O ' ' CG ' ' C' ' 45' ' ' MET . 77.4 mt -62.22 -39.51 93.01 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.387 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.75 -39.38 97.36 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.79 -53.4 27.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.689 0.28 . . . . 0.0 111.565 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . 0.761 HG11 ' CZ ' ' C' ' 27' ' ' PHE . 11.7 p -67.73 -32.31 56.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.385 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . 0.463 ' CG ' ' O ' ' C' ' 41' ' ' LEU . 7.2 mmt -60.89 -45.95 92.57 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.779 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -63.06 -40.9 99.08 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.3 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 16.3 tmm? -63.17 -40.62 98.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.768 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 20.5 mt -64.63 -19.15 65.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.681 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 100.11 8.18 51.1 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . 0.436 ' O ' ' O ' ' C' ' 45' ' ' MET . 5.0 pt20 -123.07 139.78 53.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.391 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . 0.403 ' O ' ' OD1' ' C' ' 51' ' ' ASN . 33.4 t-20 -131.7 75.03 76.98 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.816 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -72.15 154.95 57.1 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 122.568 2.179 . . . . 0.0 112.344 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 22.5 p -61.88 136.22 94.89 Favored Pre-proline 0 C--N 1.323 -0.564 0 C-N-CA 119.811 -0.756 . . . . 0.0 111.332 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.83 -38.75 78.66 Favored 'Trans proline' 0 N--CA 1.5 1.885 0 C-N-CA 121.942 1.761 . . . . 0.0 112.479 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -62.12 -43.33 99.07 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.567 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.09 -39.37 93.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 84.4 mt -61.8 -42.74 99.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.717 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -65.0 -40.8 95.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.457 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -62.7 -43.82 97.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.241 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . 0.624 ' O ' HG22 ' C' ' 64' ' ' VAL . 28.3 ttt -62.1 -44.04 97.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.548 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 88.2 mt -61.37 -43.92 97.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.555 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -65.14 -42.13 94.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.971 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.64 -41.8 98.2 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.262 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . 0.624 HG22 ' O ' ' C' ' 60' ' ' MET . 19.7 m -88.27 7.89 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.427 ' OD2' ' N ' ' C' ' 70' ' ' GLY . 29.9 t0 -75.43 125.04 28.21 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.371 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -90.77 -46.81 8.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.149 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 56.2 p-10 -91.87 -1.25 57.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.98 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.06 12.51 62.9 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 87.9 p -66.51 -26.53 67.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.938 0.399 . . . . 0.0 111.047 -179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . 0.427 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 84.57 5.3 86.92 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 27.2 m -129.85 141.93 50.75 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.639 0.257 . . . . 0.0 110.475 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 41.3 t -81.35 117.4 27.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.156 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -93.9 178.19 5.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.523 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -58.54 -48.77 79.77 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.559 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.87 -44.16 93.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.997 0.427 . . . . 0.0 110.544 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.88 -37.65 87.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.473 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -59.4 -45.67 90.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.4 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . 0.626 ' O ' HG23 ' C' ' 82' ' ' VAL . 99.0 mt -60.88 -39.96 91.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.131 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.29 -42.43 95.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.756 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 48.8 tpp -57.25 -48.7 78.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.305 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 14.8 mmt -65.21 -39.35 92.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.844 0.354 . . . . 0.0 110.968 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . 0.626 HG23 ' O ' ' C' ' 78' ' ' LEU . 60.9 t -61.48 -44.68 98.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.721 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.79 -40.34 94.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.827 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . 0.487 ' O ' ' OD1' ' C' ' 88' ' ' ASP . 65.4 mtt -63.91 -39.68 94.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.827 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -70.9 -42.17 70.31 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.511 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.08 -43.96 70.06 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.972 0.415 . . . . 0.0 111.589 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' C' ' 85' ' ' MET . 52.2 p30 -75.23 -1.39 23.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.473 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 59.7 p -66.88 -25.35 66.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.335 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' C' ' 91' ' ' ASN . 13.4 mm-40 -96.28 -45.93 6.63 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 91' ' ' ASN . . . . . 0.42 ' O ' ' O ' ' C' ' 90' ' ' GLU . 1.7 t30 54.0 107.78 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.907 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 1.8 tp -68.03 -169.45 0.13 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.437 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -98.99 4.87 47.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.76 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -100.82 123.79 45.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.605 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -109.16 140.28 42.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.518 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -158.55 -168.87 21.33 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -73.37 72.61 1.33 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.008 0.432 . . . . 0.0 110.218 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -99.55 -81.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.611 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . 0.834 HG23 ' H ' ' C' ' 100' ' ' ARG . 10.9 m -136.78 -63.92 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.667 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 100' ' ' ARG . . . . . 0.834 ' H ' HG23 ' C' ' 99' ' ' VAL . 47.9 ttp85 70.57 -30.77 0.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.721 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 101' ' ' ILE . . . . . 0.531 ' H ' ' C ' ' C' ' 99' ' ' VAL . 18.1 tt -83.76 139.98 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.483 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 52.2 m -92.39 155.8 17.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.77 97.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.861 0.362 . . . . 0.0 110.625 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -63.0 -41.32 99.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.0 0.429 . . . . 0.0 110.524 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.88 -39.32 94.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.522 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 15.5 tpt -59.73 -44.29 93.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.216 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 54.6 ttp -61.89 -46.02 91.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.336 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . 0.55 ' O ' ' N ' ' C' ' 112' ' ' GLY . 77.8 mt-30 -64.21 -39.61 94.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.461 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.27 -41.6 97.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.583 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 10.9 mt -69.48 -47.66 63.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.661 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 4.2 mp -109.29 -52.42 2.77 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.901 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 112' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . 64.46 17.77 62.5 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -85.34 160.32 19.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.771 0.319 . . . . 0.0 110.839 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -65.78 139.26 58.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.297 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.17 65.91 0.84 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.609 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 116' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' C' ' 118' ' ' SER . 11.7 tptt -135.51 -15.53 1.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.701 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -67.5 65.42 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.388 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . 0.443 ' N ' ' O ' ' C' ' 116' ' ' LYS . 75.3 m -62.8 -41.23 99.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.668 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 119' ' ' LEU . . . . . 0.441 HD12 ' N ' ' C' ' 121' ' ' LEU . 2.0 pp -68.57 -28.2 66.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.482 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' C' ' 122' ' ' ARG . 65.8 t0 55.42 76.65 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.634 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . 0.441 ' N ' HD12 ' C' ' 119' ' ' LEU . 3.4 mp 60.79 -80.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.522 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . 0.491 ' O ' ' HB3' ' C' ' 123' ' ' ALA . 3.7 tpt180 46.84 -119.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.481 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' C' ' 122' ' ' ARG . . . 69.7 69.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.036 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -128.46 118.24 22.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.632 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 93.6 mt 42.58 80.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.73 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.121 -0.943 . . . . 0.0 110.497 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 60.5 m170 53.7 49.07 20.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.624 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -56.22 131.11 46.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.449 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -165.07 -81.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.438 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -157.1 106.84 2.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.276 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' -8' ' ' HIS . . . . . 0.555 ' ND1' ' O ' ' C' ' -8' ' ' HIS . 58.9 t-80 41.24 33.66 0.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.553 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . 121.99 -166.38 14.69 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . -87.96 -86.02 1.18 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' -5' ' ' LEU . . . . . 0.521 HD12 ' N ' ' C' ' -5' ' ' LEU . 10.9 mp -70.72 139.03 51.04 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' -4' ' ' VAL . . . . . 0.495 ' O ' HG13 ' C' ' -4' ' ' VAL . 10.7 p -120.75 128.31 25.84 Favored Pre-proline 0 CA--C 1.54 0.575 0 O-C-N 123.47 0.481 . . . . 0.0 110.5 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -51.13 140.4 40.97 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.525 2.15 . . . . 0.0 112.075 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 68.39 14.78 9.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.49 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' -1' ' ' GLY . . . . . 0.525 ' C ' ' H ' ' C' ' 1' ' ' MET . . . -100.45 47.1 1.28 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.54 27.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 110.612 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.578 ' SD ' HD12 ' C' ' 4' ' ' ILE . 23.5 mmt -64.79 -20.24 66.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.22 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' C' ' 3' ' ' ASP . 45.2 p-10 -53.66 -34.51 58.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.701 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . 0.541 ' N ' ' OD1' ' C' ' 2' ' ' ASP . 34.4 t70 -63.7 -41.42 98.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.024 0.44 . . . . 0.0 110.392 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . 0.578 HD12 ' SD ' ' C' ' 1' ' ' MET . 92.4 mt -63.94 -41.74 93.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.654 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -56.25 -48.45 76.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.795 -179.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -64.91 -41.54 95.49 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.904 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.54 -40.5 94.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.492 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.98 94.8 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.293 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.463 ' O ' ' O ' ' C' ' 12' ' ' LEU . 54.0 t -63.45 -38.53 82.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.05 0.453 . . . . 0.0 110.906 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -59.46 -40.23 86.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.731 -179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.37 -40.08 11.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.773 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' C' ' 9' ' ' VAL . 69.2 mt -93.77 140.51 29.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.531 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 65.9 p -90.53 177.66 6.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.688 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -61.52 -36.0 79.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.239 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -59.6 -42.59 92.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.801 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -64.11 -40.41 96.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.935 0.398 . . . . 0.0 110.543 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -61.8 -43.37 98.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.287 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -62.26 -45.54 92.82 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.568 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -62.2 -42.48 99.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.525 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.679 ' CE2' HD21 ' C' ' 78' ' ' LEU . 0.0 OUTLIER -56.42 -50.54 71.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.569 -179.696 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -63.08 -45.96 89.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.777 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.81 97.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.41 98.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.941 0.4 . . . . 0.0 110.71 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . 0.819 ' O ' HG23 ' C' ' 28' ' ' VAL . 83.9 t80 -58.68 -44.42 90.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.249 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -58.65 -41.31 85.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.38 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 1.5 mp -71.43 -39.54 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.403 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.25 -18.72 64.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.819 HG23 ' O ' ' C' ' 24' ' ' PHE . 53.6 t -71.67 -23.69 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.674 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . 0.456 ' N ' HD22 ' C' ' 29' ' ' LEU . 4.3 mm? -60.98 134.41 57.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.881 0.372 . . . . 0.0 110.733 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.37 -5.4 84.77 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . 0.594 ' HB2' ' OE2' ' C' ' 40' ' ' GLU . . . -117.06 101.81 8.79 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.779 0.323 . . . . 0.0 110.471 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -64.85 -41.06 96.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.469 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -64.85 -23.42 67.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.393 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.44 -0.88 83.69 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 97.4 p -105.41 166.4 10.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.734 0.302 . . . . 0.0 110.684 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 67.3 mt -92.81 121.42 43.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 16.7 m -117.46 -171.83 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.664 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . 0.492 ' O ' HD13 ' C' ' 57' ' ' LEU . 74.9 p -64.52 -38.65 91.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.53 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -64.95 -39.85 94.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.757 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.594 ' OE2' ' HB2' ' C' ' 31' ' ' ALA . 76.5 mm-40 -61.94 -42.91 99.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.801 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 3.0 mt -63.79 -33.74 76.35 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.196 0.522 . . . . 0.0 110.898 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.37 -29.74 63.74 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -59.54 -42.84 93.26 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.373 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 66.8 t -63.21 -47.81 90.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.87 0.367 . . . . 0.0 110.482 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 6.2 mtm -67.65 -39.29 84.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.579 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 79.9 mtt-85 -61.46 -44.66 96.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.719 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 53.3 ttp -63.14 -39.74 95.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.444 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 tp -59.03 -26.38 64.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.336 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.43 33.46 4.82 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.289 -0.725 . . . . 0.0 111.289 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -113.63 179.45 3.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.648 0.261 . . . . 0.0 110.694 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.12 80.89 57.87 Favored Pre-proline 0 CA--C 1.531 0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.98 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -72.19 154.37 56.87 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 122.838 2.359 . . . . 0.0 112.239 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 28.4 p -123.58 150.6 61.79 Favored Pre-proline 0 N--CA 1.448 -0.542 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.782 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -49.14 -44.99 31.33 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 122.298 1.999 . . . . 0.0 112.259 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -63.69 -43.56 96.28 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.982 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -64.77 -41.89 95.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.97 0.414 . . . . 0.0 110.915 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . 0.492 HD13 ' O ' ' C' ' 38' ' ' THR . 96.7 mt -65.98 -38.93 89.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.758 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -60.88 -42.62 98.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.547 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -65.7 -41.72 92.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.593 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 28.4 ttt -62.28 -42.0 98.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.243 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 mm -59.68 -43.83 92.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.79 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.46 -41.75 90.42 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.434 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -72.52 -43.29 63.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.919 0.39 . . . . 0.0 110.525 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . 0.46 HG12 ' SD ' ' C' ' 80' ' ' MET . 53.6 t -66.44 -39.93 85.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.058 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 58.8 t0 -50.47 146.95 4.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.451 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . 0.537 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 12.7 mm-40 -91.41 -43.37 9.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.988 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -102.22 -2.04 30.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.664 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.33 20.65 69.66 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . 0.491 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 84.2 p -73.02 -12.34 60.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.736 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.47 -19.33 51.16 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 77.5 p -137.52 160.95 37.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.666 0.269 . . . . 0.0 110.437 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . 0.615 HG23 ' O ' ' C' ' 72' ' ' VAL . 33.5 m -120.95 112.66 36.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.396 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -75.45 178.0 6.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.722 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -58.58 -49.34 77.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.662 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -66.22 -41.31 90.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.494 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.77 -39.23 90.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.708 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -59.88 -46.68 88.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.381 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . 0.679 HD21 ' CE2' ' C' ' 20' ' ' PHE . 12.9 mt -60.99 -47.02 88.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 0.0 111.096 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.48 -41.86 94.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.479 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . 0.46 ' SD ' HG12 ' C' ' 64' ' ' VAL . 66.7 ttp -59.33 -44.09 92.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.47 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 2.2 tpt -60.6 -42.71 97.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.959 0.409 . . . . 0.0 110.181 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 78.6 t -65.34 -41.2 90.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.623 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -59.49 -41.26 89.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.458 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -42.82 95.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.809 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -62.31 -43.94 97.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.064 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -64.52 -43.53 93.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.665 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -60.85 -46.46 90.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.695 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 74.9 m -68.11 -41.91 81.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -62.33 -41.82 98.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.408 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 91' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' C' ' 97' ' ' ARG . 9.8 t-20 54.9 54.42 9.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.876 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 92' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' C' ' 93' ' ' TYR . 77.7 mt -59.39 134.12 56.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.457 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 93' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' C' ' 92' ' ' LEU . 78.2 m-85 35.45 -131.46 0.08 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.673 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -96.38 5.05 51.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.618 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.36 112.92 19.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.949 0.404 . . . . 0.0 110.373 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 96' ' ' GLY . . . . . 0.56 ' O ' ' N ' ' C' ' 98' ' ' ARG . . . 99.82 -23.17 37.11 Favored Glycine 0 C--O 1.228 -0.252 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . 0.511 ' O ' ' ND2' ' C' ' 91' ' ' ASN . 0.2 OUTLIER 32.85 -88.35 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.814 0.361 . . . . 0.0 110.99 179.561 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 98' ' ' ARG . . . . . 0.56 ' N ' ' O ' ' C' ' 96' ' ' GLY . 8.0 ptm180 -131.91 160.18 36.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.625 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 14.2 p -74.09 144.03 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.812 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -96.61 -59.92 1.72 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.744 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 79.0 mt -118.27 124.67 73.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.407 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 44.3 m -93.11 143.9 25.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.861 0.362 . . . . 0.0 110.438 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.04 -35.05 75.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.354 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -58.84 -36.94 75.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.263 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.3 93.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.613 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 2.6 mmm -63.97 -40.31 96.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.521 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 13.1 ttm -60.99 -49.04 79.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.843 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -61.04 -41.98 97.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.688 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.63 -43.79 92.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.935 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 85.7 mt -68.05 -44.26 76.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.203 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -75.06 -49.29 20.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.869 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 112' ' ' GLY . . . . . 0.617 ' O ' ' HB3' ' C' ' 113' ' ' ALA . . . 55.26 -124.25 32.41 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' C' ' 112' ' ' GLY . . . 76.36 160.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.721 0.296 . . . . 0.0 110.587 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -92.74 -3.22 55.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.002 0.43 . . . . 0.0 110.14 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.62 163.49 34.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.735 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 116' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' C' ' 118' ' ' SER . 64.3 pttt -138.63 149.47 45.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.552 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 47.63 14.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.666 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . 0.45 ' N ' ' O ' ' C' ' 116' ' ' LYS . 87.8 p -86.18 -9.18 57.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.651 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.63 10.71 17.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -66.55 123.55 20.37 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.474 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 2.3 tp -128.26 -35.02 2.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.49 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 10.1 mmt-85 -102.62 104.79 15.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.769 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -157.17 165.74 35.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.8 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -47.76 139.51 7.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.427 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 89.6 mt -75.52 148.67 38.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.697 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 21.7 pttp . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.761 -179.93 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' -12' ' ' HIS . . . . . 0.462 ' O ' ' O ' ' C' ' -11' ' ' HIS . 56.5 t-80 -143.02 98.85 3.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.599 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' -11' ' ' HIS . . . . . 0.462 ' O ' ' O ' ' C' ' -12' ' ' HIS . 11.8 m80 45.78 102.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.977 0.417 . . . . 0.0 111.106 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -60.92 -40.26 92.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.375 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -160.45 163.68 32.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -96.75 116.64 29.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.186 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -166.65 -119.72 0.49 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . 71.09 40.06 62.32 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' -5' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' C' ' -4' ' ' VAL . 86.5 mt -60.17 -41.59 93.15 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.88 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' -4' ' ' VAL . . . . . 0.591 HG12 ' O ' ' C' ' -4' ' ' VAL . 96.1 t 34.46 67.36 1.29 Allowed Pre-proline 0 N--CA 1.455 -0.209 0 O-C-N 123.525 0.516 . . . . 0.0 110.77 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -75.76 47.83 2.03 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.48 2.12 . . . . 0.0 112.145 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -154.94 134.97 13.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.556 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . -105.68 110.4 3.42 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.42 140.31 2.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.783 0.325 . . . . 0.0 110.474 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 98.4 mtp -66.24 -19.26 65.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.482 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.66 -30.92 69.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.83 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -60.77 -34.68 74.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.064 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 94.0 mt -59.78 -46.89 93.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.256 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -67.1 -37.07 83.29 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.505 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -60.37 -43.7 96.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.209 0.528 . . . . 0.0 110.491 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.11 -37.85 81.62 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.728 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.6 -46.08 90.0 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -74.11 -34.97 39.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.963 0.411 . . . . 0.0 110.606 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -63.67 -40.03 95.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.574 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . 0.433 ' O ' ' O ' ' C' ' 12' ' ' LEU . 22.0 mt-30 -98.64 19.39 14.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.838 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' C' ' 11' ' ' GLN . 2.3 pp -34.15 153.15 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 O-C-N 123.598 0.561 . . . . 0.0 110.433 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.3 p -115.75 165.51 12.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.469 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -61.01 -39.65 90.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.381 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . 0.438 ' O ' ' OE1' ' C' ' 19' ' ' GLU . 53.7 tp10 -61.29 -43.34 99.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.18 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -60.31 -40.5 90.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.007 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -63.53 -36.69 84.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -58.51 -47.52 83.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.09 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . 0.438 ' OE1' ' O ' ' C' ' 15' ' ' GLU . 7.6 mp0 -67.21 -38.58 85.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.627 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -59.59 -48.59 81.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.925 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -61.5 -40.8 95.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.687 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.04 -41.05 99.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.627 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.58 92.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.414 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.4 -37.45 80.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.172 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.75 -41.64 97.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.507 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 38.1 pt -77.71 -28.17 15.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.811 0.338 . . . . 0.0 111.17 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.5 -45.07 76.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.599 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 35.1 m -73.12 -4.12 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.954 0.407 . . . . 0.0 110.676 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . 0.474 HD23 ' N ' ' C' ' 30' ' ' GLY . 1.7 tt -69.09 110.06 4.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.478 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . 0.474 ' N ' HD23 ' C' ' 29' ' ' LEU . . . 77.69 18.83 76.84 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.55 115.31 27.22 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.667 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -68.81 -41.51 78.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -67.68 -30.06 69.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.768 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.33 4.28 88.96 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.53 -178.85 5.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.657 0.265 . . . . 0.0 110.384 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 31.2 mm -75.47 121.15 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 110.173 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 5.5 t -148.65 -165.08 2.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.611 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . 0.402 HG22 HG13 ' C' ' 61' ' ' ILE . 68.4 p -67.34 -37.1 82.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.515 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 67.2 tttm -63.54 -42.71 98.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.591 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -60.97 -44.83 96.79 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.07 0.462 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tt -65.23 -41.61 94.2 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.055 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.26 -38.89 96.95 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -58.57 -44.1 89.63 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.73 -43.96 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.581 0.705 . . . . 0.0 110.134 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . 0.506 ' SD ' ' OE1' ' C' ' 50' ' ' GLN . 25.6 mmt -66.77 -39.88 88.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -61.8 -45.23 94.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.669 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 6.2 ptt? -71.28 -22.47 61.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.095 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.65 -3.73 39.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.616 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.84 12.15 66.81 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . 0.506 ' OE1' ' SD ' ' C' ' 45' ' ' MET . 85.0 mt-30 -102.1 152.2 21.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.735 0.302 . . . . 0.0 110.418 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -136.17 65.62 58.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.267 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -72.76 153.72 53.78 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.753 2.302 . . . . 0.0 112.651 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 1.4 p -67.89 154.83 93.0 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.603 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . 0.489 ' HA ' HD12 ' C' ' 57' ' ' LEU . 19.1 Cg_endo -60.26 -31.27 92.76 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.423 2.082 . . . . 0.0 112.054 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . 0.41 ' CG ' ' N ' ' C' ' 56' ' ' GLU . 8.9 pt-20 -67.02 -38.62 86.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.942 0.401 . . . . 0.0 110.202 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . 0.41 ' N ' ' CG ' ' C' ' 55' ' ' GLU . 99.2 mt-10 -67.14 -37.7 84.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.434 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' C' ' 54' ' ' PRO . 84.0 mt -60.92 -42.87 98.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.348 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -67.04 -41.21 86.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.801 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.1 -41.6 96.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.416 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 49.0 tpp -63.26 -41.16 99.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.1 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . 0.402 HG13 HG22 ' C' ' 38' ' ' THR . 4.1 mm -60.59 -46.21 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.815 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -61.18 -43.7 98.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.83 0.348 . . . . 0.0 110.525 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -65.91 -45.19 82.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . 0.434 ' CG1' ' SD ' ' C' ' 80' ' ' MET . 73.3 t -65.14 -39.72 86.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.722 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 52.3 t0 -53.69 139.96 30.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.755 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . 0.535 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 22.5 tp10 -88.03 -42.81 12.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.989 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -101.66 -1.61 32.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.675 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . 0.406 ' H ' ' CG ' ' C' ' 65' ' ' ASP . . . 67.75 23.22 74.01 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . 0.531 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 99.9 p -73.44 -10.51 59.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.817 0.341 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.33 -8.56 75.14 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 69.5 p -135.26 164.04 28.61 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.55 0.214 . . . . 0.0 110.483 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 28.7 t -112.5 116.37 52.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.14 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . 0.523 ' CG ' ' N ' ' C' ' 74' ' ' PHE . 1.0 OUTLIER -73.5 166.64 22.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.356 179.563 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . 0.523 ' N ' ' CG ' ' C' ' 73' ' ' ASP . 16.8 m-85 -56.68 -46.99 80.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.542 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -66.24 -41.16 90.41 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.042 0.448 . . . . 0.0 110.468 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -62.72 -39.91 95.53 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.536 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -64.55 -40.47 95.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.326 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.3 -51.93 65.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.735 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 33.4 m -71.9 -27.7 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.984 0.421 . . . . 0.0 110.723 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . 0.434 ' SD ' ' CG1' ' C' ' 64' ' ' VAL . 50.5 ttp -60.73 -43.87 97.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.767 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 25.1 ttt -61.1 -42.74 99.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.01 0.433 . . . . 0.0 110.654 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . 0.522 ' O ' ' SD ' ' C' ' 85' ' ' MET . 99.2 t -70.41 -35.9 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.464 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' C' ' 85' ' ' MET . 39.1 ttm180 -58.71 -42.02 87.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.19 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 84' ' ' 4J4 . . . . . 0.486 ' C ' ' O ' ' C' ' 83' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . 0.626 ' N ' ' SD ' ' C' ' 85' ' ' MET . 0.3 OUTLIER -59.34 -36.16 75.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.321 -179.823 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -60.3 -39.11 85.79 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.117 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -63.27 -41.63 99.04 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.932 0.396 . . . . 0.0 110.193 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.3 -41.77 98.98 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.772 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 90.2 p -67.88 -35.5 78.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.477 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.31 -38.21 86.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.144 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 91' ' ' ASN . . . . . 0.433 ' OD1' ' CD2' ' C' ' 94' ' ' PHE . 8.7 t-20 64.03 64.88 0.72 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.193 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 7.7 tp -57.88 -40.62 80.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.271 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -117.47 135.84 53.63 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.34 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 94' ' ' PHE . . . . . 0.433 ' CD2' ' OD1' ' C' ' 91' ' ' ASN . 0.4 OUTLIER -111.68 2.05 17.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.759 179.785 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -87.93 -39.89 14.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -98.93 12.12 62.41 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 54.96 -110.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.327 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 48.5 mtt-85 -64.97 162.21 17.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.793 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 67.1 t -79.81 96.99 2.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.968 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 100' ' ' ARG . . . . . 0.44 ' NH2' HE21 ' C' ' 50' ' ' GLN . 84.1 mtt85 39.74 -98.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.771 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 tp -111.77 135.61 50.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.49 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 64.6 m -67.86 149.04 50.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.499 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.61 -39.57 88.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.636 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.1 -39.68 90.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.42 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.76 95.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.764 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 60.1 mtp -61.97 -44.53 96.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.803 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 76.9 mtm -64.66 -40.03 94.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.457 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' C' ' 112' ' ' GLY . 11.9 tp-100 -62.51 -42.38 99.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.608 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.69 94.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.49 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 6.0 mp -66.28 -42.57 88.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 98.6 mt -93.42 3.56 55.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.653 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 112' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . -52.06 -76.1 0.19 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -133.06 -117.67 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.691 0.281 . . . . 0.0 110.487 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 71.1 -53.77 0.67 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.466 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -164.43 142.7 6.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.688 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -68.0 -26.66 66.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.454 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -93.62 23.66 4.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.705 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 70.4 m -57.94 -25.52 61.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.336 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.22 -38.93 88.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.378 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 4.7 t0 74.68 148.25 0.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.588 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 2.4 tp 69.5 171.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.576 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -99.8 122.86 43.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.405 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.45 143.77 42.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.826 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -89.65 -0.97 57.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.888 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 23.5 mt -129.11 152.31 48.84 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.975 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 22.6 tptt . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.4 -179.859 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 73.8 m80 53.27 -118.63 1.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.469 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -130.28 139.79 50.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.619 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -156.87 161.35 39.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.35 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -108.36 149.55 28.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.801 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -64.62 -38.9 92.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.597 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . 60.08 -128.93 47.15 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . -66.63 142.25 41.86 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' -5' ' ' LEU . . . . . 0.439 ' N ' HD12 ' C' ' -5' ' ' LEU . 9.5 mp -69.02 -34.53 75.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.583 0.23 . . . . 0.0 110.61 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 60.5 t -93.03 112.34 55.63 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.507 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -49.57 112.52 0.7 Allowed 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 122.474 2.116 . . . . 0.0 112.226 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -174.39 88.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.461 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . -111.44 -162.62 17.39 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.77 110.06 22.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.675 0.274 . . . . 0.0 110.52 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.413 ' O ' HG22 ' C' ' 4' ' ' ILE . 72.4 mtm -88.32 117.92 27.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.032 0.444 . . . . 0.0 110.474 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' C' ' 2' ' ' ASP . 64.1 t0 -61.23 -34.7 75.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.493 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -55.66 -36.47 67.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.418 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . 0.539 ' HA ' ' HB3' ' C' ' 7' ' ' ALA . 1.9 tp -49.44 -22.24 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.37 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -61.59 -46.89 87.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.382 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -96.9 -24.16 15.99 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.011 0.434 . . . . 0.0 110.637 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . 0.539 ' HB3' ' HA ' ' C' ' 4' ' ' ILE . . . -60.45 -37.96 82.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.472 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.99 -44.79 87.39 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.877 0.37 . . . . 0.0 110.576 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 76.7 t -70.09 -38.3 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.099 0.476 . . . . 0.0 110.461 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -55.86 -32.29 63.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.759 -179.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -66.34 -15.8 63.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.666 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 50.1 mt -103.66 137.34 41.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.834 0.35 . . . . 0.0 110.468 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 44.1 p -95.11 168.41 10.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.584 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -62.27 -39.8 94.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.362 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -63.61 -40.02 95.86 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.227 0.537 . . . . 0.0 110.411 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -62.98 -41.29 99.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.509 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.55 -39.27 93.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -60.12 -40.89 91.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.342 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -63.08 -43.67 97.9 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 121.415 0.626 . . . . 0.0 110.639 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.68 -22.56 64.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.756 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -52.46 -25.53 10.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.497 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.97 80.58 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.394 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.79 95.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.965 0.412 . . . . 0.0 110.581 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . 0.514 ' O ' HG23 ' C' ' 28' ' ' VAL . 83.9 t80 -59.23 -46.84 87.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.513 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -59.65 -42.4 92.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.78 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 91.8 mt -60.13 -45.29 96.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.555 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -66.39 -34.82 78.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.608 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.514 HG23 ' O ' ' C' ' 24' ' ' PHE . 66.3 t -70.87 -24.57 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.46 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.9 124.04 19.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.559 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.83 -3.49 81.11 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.09 118.79 29.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.601 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.19 -41.25 99.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.479 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.31 -26.21 67.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.534 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.75 -4.04 86.56 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.836 -0.905 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 65.6 m -140.78 161.73 37.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.66 0.267 . . . . 0.0 110.67 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.89 119.97 9.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.069 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 5.6 t -138.6 -158.17 0.83 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.613 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 72.9 p -61.37 -36.82 81.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.509 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -63.15 -50.76 69.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.104 0.478 . . . . 0.0 110.722 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -69.99 -40.91 75.02 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.315 0.579 . . . . 0.0 110.531 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 51.8 tp -63.63 -39.68 94.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.731 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.01 -41.58 99.49 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.326 -1.11 . . . . 0.0 110.326 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -59.98 -42.06 93.37 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.697 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 68.7 t -62.96 -42.86 98.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.261 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 14.0 mmt -62.15 -41.78 98.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.955 0.407 . . . . 0.0 110.378 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -62.63 -38.03 88.64 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.498 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 45.8 mtp -62.24 -38.74 90.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.295 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 94.8 mt -75.51 -10.79 59.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.603 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.41 5.32 59.17 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -101.54 141.45 34.39 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -131.58 74.97 77.46 Favored Pre-proline 0 C--O 1.233 0.21 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.977 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -63.16 149.64 90.85 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 123.184 2.589 . . . . 0.0 112.121 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 21.8 p -70.24 152.88 95.56 Favored Pre-proline 0 N--CA 1.449 -0.505 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.761 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -46.86 -40.69 25.3 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 122.316 2.01 . . . . 0.0 112.335 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -67.11 -32.18 73.15 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-O 121.236 0.541 . . . . 0.0 110.288 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -74.13 -35.47 64.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.73 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.73 -47.06 86.97 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.35 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -71.95 -39.52 69.33 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.777 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -63.19 -40.03 96.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.558 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 17.2 tpt -64.05 -41.18 97.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.281 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 4.4 mm -60.6 -44.05 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.758 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -60.0 -45.03 94.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.343 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.65 -45.52 92.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.36 -39.98 87.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.843 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' C' ' 71' ' ' THR . 1.2 m-20 -62.38 113.11 2.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.686 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -88.9 -18.16 28.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.674 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -109.58 -1.29 18.27 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.72 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.87 17.56 73.49 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 91.5 p -63.4 -21.32 66.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.772 0.32 . . . . 0.0 110.563 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.46 4.39 89.34 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . 0.418 ' O ' ' OD1' ' C' ' 65' ' ' ASP . 81.2 p -130.03 164.71 23.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.791 0.329 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 47.5 t -98.5 107.34 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.609 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.79 163.59 22.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.517 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -59.45 -48.38 81.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.397 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.34 -42.92 99.47 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.625 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -64.61 -39.95 94.63 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.031 0.444 . . . . 0.0 110.449 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -46.01 90.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.696 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 2.2 tp -64.83 -40.29 94.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.112 0.482 . . . . 0.0 110.294 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.05 -38.47 80.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.828 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 3.2 mmm -53.11 -34.41 56.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.792 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.34 -39.64 93.75 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.839 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 85.9 t -82.84 -28.81 8.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.705 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 -84.92 -6.34 59.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.662 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . 0.549 ' SD ' ' N ' ' C' ' 85' ' ' MET . 4.1 mmt -66.49 -19.31 65.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.73 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -30.72 61.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.551 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -61.38 -21.87 64.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.893 0.377 . . . . 0.0 110.593 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' C' ' 92' ' ' LEU . 54.3 t0 -65.94 -31.39 72.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.452 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 75.4 m -60.16 -47.57 85.37 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.895 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -67.56 -39.5 84.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.357 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 91' ' ' ASN . . . . . 0.455 ' O ' ' O ' ' C' ' 92' ' ' LEU . 54.9 t-20 -87.08 71.25 10.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.639 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 92' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' C' ' 91' ' ' ASN . 26.5 mt 56.07 155.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.014 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 93' ' ' TYR . . . . . 0.519 ' O ' ' CG ' ' C' ' 93' ' ' TYR . 0.8 OUTLIER -96.59 129.13 44.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.086 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -167.32 -23.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.682 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 57.72 36.08 26.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.392 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -86.13 -177.7 49.89 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -101.91 130.46 48.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.593 0.235 . . . . 0.0 110.571 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -118.64 9.01 12.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.738 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 3.2 p -148.62 135.39 13.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.654 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -111.97 -5.75 14.29 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.566 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 2.3 mp -93.92 114.92 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.198 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 85.9 p -71.33 151.56 44.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.124 0.488 . . . . 0.0 110.797 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.11 -38.66 91.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.423 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -58.34 -45.58 87.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.589 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.03 -42.96 99.46 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.38 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 4.9 tpt -67.41 -40.98 85.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.415 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 28.8 mmm -61.97 -42.68 99.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.587 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.08 -42.74 88.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.881 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.15 97.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.24 -41.2 90.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.56 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -75.28 -35.93 61.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 112' ' ' GLY . . . . . 0.525 ' O ' ' N ' ' C' ' 114' ' ' ARG . . . -59.42 -51.59 58.2 Favored Glycine 0 C--O 1.227 -0.322 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' C' ' 112' ' ' GLY . . . 30.42 36.65 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.894 0.378 . . . . 0.0 110.653 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 114' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' C' ' 112' ' ' GLY . 2.1 mtp180 53.22 48.97 20.92 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.495 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' C' ' 112' ' ' GLY . . . -63.74 146.08 54.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.817 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -62.77 -71.81 0.15 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.759 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 43.78 33.58 0.74 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.59 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 68.3 m -62.64 -44.79 95.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.963 0.411 . . . . 0.0 110.502 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 9.2 tp -71.26 -39.84 71.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.324 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 12.7 t0 56.01 -148.56 0.48 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.452 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 19.5 tp -104.1 123.17 46.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.325 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -99.13 123.59 43.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.75 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.0 89.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.34 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 124' ' ' HIS . . . . . 0.416 ' O ' ' O ' ' C' ' 125' ' ' LEU . 60.1 m170 -94.57 131.44 40.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.413 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' C' ' 124' ' ' HIS . 2.2 mp 57.34 156.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 24.3 pttm . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.885 -179.839 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 32.1 p80 . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -62.72 -39.45 94.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.537 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -105.44 -179.39 3.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.337 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -60.27 -45.44 93.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.462 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -107.48 174.65 5.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.464 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -60.55 -38.94 86.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.394 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . 115.31 -166.24 12.19 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . -58.61 -100.26 0.01 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 30.1 mt 43.84 -166.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 111.065 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' -4' ' ' VAL . . . . . 0.459 ' O ' HG13 ' C' ' -4' ' ' VAL . 8.6 p -48.37 130.29 13.17 Favored Pre-proline 0 N--CA 1.446 -0.636 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.469 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -73.41 162.19 40.77 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.48 2.12 . . . . 0.0 112.527 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 56.62 -169.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.443 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . -165.04 -101.06 0.15 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 39.7 t -158.76 8.02 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.973 0.416 . . . . 0.0 110.634 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ttm -59.08 -41.86 89.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.461 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -58.55 -38.34 77.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.422 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -60.52 -41.66 94.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.432 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 27.2 mt -62.38 -42.48 95.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -65.9 -44.23 85.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.039 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -62.32 -44.39 96.6 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.114 0.483 . . . . 0.0 110.59 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.5 -39.55 88.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.376 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' C' ' 12' ' ' LEU . . . -61.0 -47.57 85.86 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.363 -179.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 26.0 m -73.67 -35.91 45.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.727 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -67.47 -40.76 85.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -92.77 -38.4 11.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.019 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' C' ' 8' ' ' ALA . 11.3 mt -112.61 162.66 15.43 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.061 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 65.8 p -117.58 179.95 3.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.569 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -58.26 -31.93 67.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.202 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -59.49 -43.59 93.29 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.431 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 -66.14 -39.69 90.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.923 0.392 . . . . 0.0 110.598 178.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 tmtp? -58.12 -48.34 80.5 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.024 0.44 . . . . 0.0 110.476 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.56 -39.75 94.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.713 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -62.1 -39.71 93.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.165 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -61.37 -41.82 97.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.242 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -62.64 -42.32 99.53 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.218 0.532 . . . . 0.0 110.336 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.05 96.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.478 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.96 -38.58 86.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.274 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . 0.423 ' CD2' ' CE2' ' C' ' 74' ' ' PHE . 85.1 t80 -58.48 -48.73 79.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.508 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -59.91 -41.97 92.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.244 0.545 . . . . 0.0 110.382 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 87.5 mt -71.4 -40.61 73.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.063 0.459 . . . . 0.0 110.648 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -67.7 -42.5 81.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.157 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 p -73.88 -22.38 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.329 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.77 129.87 43.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.453 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.8 -2.14 76.03 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . 0.514 ' HB2' ' OE2' ' C' ' 40' ' ' GLU . . . -98.54 106.32 18.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.878 0.37 . . . . 0.0 110.36 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.31 -24.5 65.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.698 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.69 -24.27 67.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.53 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.24 7.18 83.4 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 98.2 p -148.02 161.43 41.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.328 . . . . 0.0 110.55 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 97.0 mt -70.92 130.08 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.475 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . 0.414 ' N ' ' OE1' ' C' ' 40' ' ' GLU . 74.3 p -141.58 -168.17 2.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.769 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 93.5 m -59.57 -37.01 77.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.411 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -57.91 -43.07 85.98 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.489 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.514 ' OE2' ' HB2' ' C' ' 31' ' ' ALA . 22.6 mp0 -64.08 -43.89 94.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.97 0.414 . . . . 0.0 110.804 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 tp -62.98 -44.06 97.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.043 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.74 -37.75 95.16 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -56.85 -48.74 77.36 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.646 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.29 -44.22 98.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.094 0.473 . . . . 0.0 110.235 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 25.1 mmt -63.33 -38.14 89.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.398 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -58.64 -42.86 89.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.893 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -63.12 -37.8 88.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.259 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.18 -7.69 9.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.385 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.2 3.01 70.24 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -105.99 136.82 44.98 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.363 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' C' ' 51' ' ' ASN . 14.0 p-10 -133.1 64.89 72.13 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.71 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -71.93 161.19 45.63 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.79 2.327 . . . . 0.0 111.985 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 64.2 p -60.43 141.76 91.26 Favored Pre-proline 0 C--N 1.326 -0.439 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.057 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.11 -18.23 30.96 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 122.675 2.25 . . . . 0.0 112.383 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -59.1 -46.39 88.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.123 -178.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . 0.407 ' HG2' ' H ' ' C' ' 56' ' ' GLU . 3.0 pt-20 -72.02 -37.18 69.81 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.76 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.64 -41.4 88.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.892 0.377 . . . . 0.0 110.704 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -64.17 -39.98 95.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.537 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.98 -41.83 97.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.167 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . 0.73 ' O ' HG23 ' C' ' 64' ' ' VAL . 3.9 mmt -62.21 -42.2 99.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.543 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 23.8 mm -61.86 -44.95 99.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.663 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.29 -47.93 83.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.536 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -66.3 -40.94 90.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.324 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . 0.73 HG23 ' O ' ' C' ' 60' ' ' MET . 79.2 t -64.24 -39.54 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.582 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.538 ' OD2' ' N ' ' C' ' 69' ' ' SER . 63.8 t0 -54.43 130.53 39.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.701 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . 0.45 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 20.0 mp0 -68.39 -41.16 80.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.564 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 13.3 p30 -93.38 -1.17 56.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.305 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.57 23.15 70.29 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . 0.538 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 50.1 m -66.79 -21.85 66.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.777 0.322 . . . . 0.0 110.479 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.81 -5.26 72.82 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 80.6 p -128.78 157.46 41.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.701 0.286 . . . . 0.0 110.423 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -104.51 110.86 31.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.215 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -83.94 176.44 8.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.586 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . 0.423 ' CE2' ' CD2' ' C' ' 24' ' ' PHE . 0.8 OUTLIER -57.15 -49.05 77.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.374 -179.333 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.07 -44.46 92.32 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.687 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -61.23 -39.84 91.78 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.377 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -60.81 -45.38 94.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . 0.686 ' O ' HG23 ' C' ' 82' ' ' VAL . 27.6 tp -59.83 -50.42 73.88 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.97 -178.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . 0.436 HG23 ' N ' ' C' ' 80' ' ' MET . 34.5 m -72.6 -38.3 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.621 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . 0.436 ' N ' HG23 ' C' ' 79' ' ' VAL . 1.7 tmm? -61.75 -46.89 87.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 23.6 ttt -63.88 -39.32 93.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.398 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . 0.686 HG23 ' O ' ' C' ' 78' ' ' LEU . 64.7 t -60.9 -46.18 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.808 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -63.01 -40.03 96.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.508 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 84' ' ' 4J4 . . . . . 0.466 ' OAF' ' CAR' ' C' ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.6 mmm -62.16 -40.08 94.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.587 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.13 -44.69 96.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.275 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -67.19 -43.62 81.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.554 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -61.74 -40.81 96.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.458 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 71.3 m -61.29 -41.92 97.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.807 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' C' ' 91' ' ' ASN . 5.8 tp10 -62.5 -40.75 97.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.22 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 91' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' C' ' 93' ' ' TYR . 15.0 t-20 43.33 94.71 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.691 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 92' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' C' ' 94' ' ' PHE . 1.1 mm? -51.71 92.9 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.449 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 93' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' C' ' 91' ' ' ASN . 1.0 OUTLIER 43.01 -89.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.614 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 94' ' ' PHE . . . . . 0.535 ' N ' ' O ' ' C' ' 92' ' ' LEU . 19.3 p90 -132.5 -17.82 2.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.411 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -58.69 -12.71 4.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.909 0.385 . . . . 0.0 110.586 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -103.52 22.48 35.79 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -80.85 40.86 0.54 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.81 0.338 . . . . 0.0 110.575 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -67.38 -40.28 85.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.014 0.435 . . . . 0.0 110.602 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . 0.532 HG23 ' N ' ' C' ' 100' ' ' ARG . 29.6 m -129.14 -47.92 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.775 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 100' ' ' ARG . . . . . 0.532 ' N ' HG23 ' C' ' 99' ' ' VAL . 21.3 ttp85 62.2 35.62 15.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.528 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 5.1 mm -123.43 130.51 74.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . 0.585 ' HG ' ' CG ' ' C' ' 104' ' ' ASP . 45.4 t -70.55 144.2 51.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.777 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.88 94.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.535 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 104' ' ' ASP . . . . . 0.585 ' CG ' ' HG ' ' C' ' 102' ' ' SER . 6.7 p30 -61.08 -40.01 92.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.778 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 105' ' ' ALA . . . . . 0.578 ' N ' ' OD1' ' C' ' 104' ' ' ASP . . . -62.04 -40.82 97.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.303 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 31.1 ttm -59.88 -46.23 89.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.727 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -62.63 -43.86 97.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.719 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . 0.556 ' O ' ' N ' ' C' ' 112' ' ' GLY . 91.4 mt-30 -64.0 -40.97 97.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.85 97.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 0.0 111.147 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 1.1 mp -71.86 -49.87 34.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.356 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 90.2 mt -87.91 -0.05 56.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.715 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 112' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . 56.73 -132.02 51.8 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.69 -19.62 58.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.734 0.302 . . . . 0.0 110.637 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 61.67 72.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.056 0.455 . . . . 0.0 110.774 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . 46.17 89.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.526 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 116' ' ' LYS . . . . . 0.42 ' HG2' ' H ' ' C' ' 116' ' ' LYS . 0.4 OUTLIER -57.42 -28.02 62.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.09 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.49 -31.84 73.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.446 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 47.0 t -61.8 -47.84 83.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.806 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 11.1 tp -75.01 -45.56 40.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.789 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -97.7 116.09 29.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.558 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . 0.459 HD12 ' H ' ' C' ' 121' ' ' LEU . 1.7 mp -85.85 -18.77 31.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.697 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . 0.538 ' O ' ' HB3' ' C' ' 123' ' ' ALA . 0.6 OUTLIER -67.29 -38.38 84.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.555 -179.479 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' C' ' 122' ' ' ARG . . . 70.39 -158.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.531 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 54.79 -82.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.575 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' C' ' 123' ' ' ALA . 39.2 mt -75.14 49.07 0.43 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.307 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.679 -179.84 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -157.3 143.46 17.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.494 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -159.89 -86.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.638 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' -10' ' ' HIS . . . . . 0.401 ' ND1' ' O ' ' C' ' -10' ' ' HIS . 4.4 p80 -166.75 103.47 0.58 Allowed 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.116 0.484 . . . . 0.0 110.473 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -61.22 -46.56 89.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.69 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -62.49 -36.24 81.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.453 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -59.19 -38.72 93.57 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.596 -1.001 . . . . 0.0 110.596 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . -162.0 142.21 7.82 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -149.99 -83.38 0.1 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.848 0.356 . . . . 0.0 111.026 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 18.3 t -136.06 71.36 62.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.292 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -70.96 145.42 50.15 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 122.492 2.128 . . . . 0.0 112.352 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -162.3 147.07 12.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.774 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . 146.46 -171.0 27.41 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.4 -6.26 6.85 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.214 0.531 . . . . 0.0 110.534 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.5 mtp -66.17 -34.07 77.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.23 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -59.18 -43.7 92.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.533 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -64.62 -41.74 95.98 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.187 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.94 -42.84 95.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.185 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -58.97 -45.54 90.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.208 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -58.89 -43.41 90.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.423 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.99 -40.71 94.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.976 0.417 . . . . 0.0 110.511 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.75 -40.47 95.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.496 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.473 ' O ' ' O ' ' C' ' 12' ' ' LEU . 75.4 t -63.08 -41.05 91.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.127 0.489 . . . . 0.0 110.509 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.05 -38.16 90.09 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.599 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -82.4 -38.55 23.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' C' ' 9' ' ' VAL . 58.3 mt -100.57 135.45 41.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.989 0.423 . . . . 0.0 110.594 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 66.7 p -81.32 164.95 21.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 57.4 mp0 -61.99 -41.85 98.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.237 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -62.56 -44.72 95.63 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.146 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -62.29 -38.88 91.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.023 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -60.49 -41.28 93.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.109 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -60.47 -44.66 95.67 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.353 0.597 . . . . 0.0 110.489 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.19 -38.77 92.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.232 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.99 -38.75 89.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.29 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -59.32 -45.0 92.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.433 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.57 95.01 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.53 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.6 93.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.452 0.644 . . . . 0.0 110.262 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -61.2 -42.19 98.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.679 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -59.32 -56.27 24.16 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.423 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 14.2 tt -61.11 -24.02 31.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.823 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.13 -39.78 86.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.018 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 26.4 m -87.03 15.8 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.319 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.48 122.59 17.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.563 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.72 6.72 89.2 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.29 112.78 2.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.815 0.34 . . . . 0.0 110.541 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.48 -40.55 89.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.799 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -91.65 3.88 54.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.638 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 68.55 28.67 73.04 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 93.3 p -150.6 164.12 36.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.32 . . . . 0.0 110.566 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 97.8 mt -76.19 120.28 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.386 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 49.7 m -119.26 -170.79 1.99 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.477 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.1 p -63.16 -36.03 82.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.481 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -44.17 97.03 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.997 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.434 ' OE1' ' N ' ' C' ' 40' ' ' GLU . 20.1 mp0 -61.6 -43.7 98.38 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.746 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 48.2 tp -68.7 -37.38 79.48 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.264 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.04 -37.59 91.8 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -59.33 -39.89 84.54 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.365 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.54 -47.68 88.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.48 0.657 . . . . 0.0 110.114 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 60.0 mtt -63.57 -40.69 97.62 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.373 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.12 -37.89 86.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.491 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 5.2 tpp -58.34 -39.03 78.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.808 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' C' ' 48' ' ' LEU . 3.7 mm? -69.58 -13.1 62.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.711 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.93 10.56 45.79 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.81 158.51 18.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.776 0.322 . . . . 0.0 110.398 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -129.76 72.06 82.01 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.511 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -73.44 154.8 50.74 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.683 2.256 . . . . 0.0 112.518 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 30.9 p -95.55 143.27 25.83 Favored Pre-proline 0 N--CA 1.446 -0.646 0 C-N-CA 119.699 -0.801 . . . . 0.0 110.963 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -56.15 -31.31 82.99 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.301 2.001 . . . . 0.0 112.432 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . 0.447 ' O ' ' OE1' ' C' ' 59' ' ' GLU . 21.0 tp10 -61.44 -47.32 86.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.252 -178.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -73.56 -31.29 63.56 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.678 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.37 -42.01 93.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.859 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -69.25 -41.08 77.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.435 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . 0.487 ' N ' ' OE1' ' C' ' 59' ' ' GLU . 1.6 mp0 -64.18 -42.35 96.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 57.8 ttm -60.49 -46.02 91.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.427 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 3.9 mm -62.84 -43.25 98.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.689 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -59.94 -41.26 91.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.75 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . 0.414 ' OE1' ' O ' ' C' ' 59' ' ' GLU . 0.7 OUTLIER -64.68 -41.8 95.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.89 179.845 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 76.1 t -79.11 -32.34 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.041 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 46.9 t0 -42.55 143.36 0.68 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.535 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . 0.557 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 5.6 tp10 -86.3 -47.62 9.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.291 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 50.4 p-10 -101.88 1.23 36.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.272 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.23 23.73 76.19 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . 0.51 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 93.5 p -67.67 -16.9 64.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.776 0.322 . . . . 0.0 110.846 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.16 -4.0 82.66 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 68.7 p -136.44 163.59 30.12 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 121.169 -0.212 . . . . 0.0 110.716 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . 0.649 HG23 ' O ' ' C' ' 72' ' ' VAL . 32.6 m -125.82 109.09 20.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.448 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.94 -170.75 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.52 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -58.44 -48.71 79.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -60.69 -46.97 88.33 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.737 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -69.04 -38.27 79.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.973 0.416 . . . . 0.0 110.979 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -59.88 -47.73 84.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.6 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 10.4 tp -62.3 -40.79 97.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.317 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.28 -41.22 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.709 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . 0.451 ' SD ' HG11 ' C' ' 72' ' ' VAL . 63.5 mtp -59.62 -44.18 93.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 7.7 mmt -63.2 -44.32 95.68 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.905 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 89.5 t -68.75 -40.55 81.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.634 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -58.89 -43.6 90.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.424 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 78.3 mtm -62.21 -44.13 97.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.602 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -64.04 -44.01 93.8 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.779 -0.369 . . . . 0.0 111.262 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -63.69 -42.84 97.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.565 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . 0.538 ' O ' ' O ' ' C' ' 91' ' ' ASN . 97.8 m-20 -63.62 -40.35 96.68 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.504 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 48.2 t -71.1 -41.73 70.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.076 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.58 -46.25 90.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.172 -178.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 91' ' ' ASN . . . . . 0.538 ' O ' ' O ' ' C' ' 88' ' ' ASP . 36.0 p30 -116.31 165.7 12.89 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.583 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 26.9 mt -116.12 -13.16 11.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.872 0.368 . . . . 0.0 110.823 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -86.63 112.74 21.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.191 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.74 157.5 30.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.65 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -86.59 -158.85 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.213 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -59.02 -37.28 91.35 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.1 117.03 31.54 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.466 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -77.6 151.85 34.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.484 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . 0.438 HG13 ' O ' ' C' ' 99' ' ' VAL . 7.1 p -130.68 126.56 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.639 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -140.15 13.53 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.595 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 37.3 mm -112.26 126.02 69.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-O 120.942 0.401 . . . . 0.0 110.609 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 43.8 t -82.74 144.17 30.38 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.848 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.07 99.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.487 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -60.14 -40.61 90.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.533 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.26 96.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.617 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 13.6 ttp -63.57 -42.92 98.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.864 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 92.3 mtp -65.32 -38.45 90.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.314 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . 0.564 ' O ' ' N ' ' C' ' 112' ' ' GLY . 1.1 mm100 -60.54 -42.53 96.69 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.674 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.46 98.78 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.658 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.19 -41.24 90.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.022 0.439 . . . . 0.0 111.015 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 70.4 mt -98.19 9.22 43.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.436 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 112' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . -63.01 -26.75 69.42 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -71.41 -31.46 67.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.62 0.248 . . . . 0.0 111.048 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -106.13 -0.13 24.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.238 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.87 148.21 51.82 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.557 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -68.54 -18.74 64.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.524 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.89 -27.27 68.69 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.219 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 88.2 p -63.98 -35.78 81.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.523 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -84.59 -25.63 28.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.807 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -47.16 127.36 10.41 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.48 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 2.1 tp -163.26 -42.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.776 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -58.77 138.69 57.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.554 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -99.46 128.95 45.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 124' ' ' HIS . . . . . 0.411 ' O ' ' CG ' ' C' ' 124' ' ' HIS . 56.1 t-80 -141.7 -3.77 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.64 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 1.3 pp -148.51 147.6 29.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.51 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.878 -1.058 . . . . 0.0 110.465 -179.935 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' -12' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' C' ' -10' ' ' HIS . 85.2 t60 -149.45 133.51 17.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.699 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 65.52 -68.59 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' -10' ' ' HIS . . . . . 0.462 ' N ' ' O ' ' C' ' -12' ' ' HIS . 78.1 m80 -71.01 153.97 42.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' -9' ' ' HIS . . . . . 0.477 ' CG ' ' N ' ' C' ' -8' ' ' HIS . 0.0 OUTLIER 67.49 -50.59 0.5 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.856 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' -8' ' ' HIS . . . . . 0.477 ' N ' ' CG ' ' C' ' -9' ' ' HIS . 66.3 t-80 -60.52 -43.88 96.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.438 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -110.6 151.98 17.49 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . -154.25 -145.77 4.24 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.96 -11.1 59.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.586 0.231 . . . . 0.0 110.576 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 16.9 t -133.22 68.81 77.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.493 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -75.62 157.85 40.01 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.799 2.333 . . . . 0.0 112.267 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -64.84 -24.34 67.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.49 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' -1' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' C' ' 0' ' ' SER . . . -66.05 -12.17 56.91 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 0' ' ' SER . . . . . 0.457 ' O ' ' O ' ' C' ' -1' ' ' GLY . 19.6 m -55.5 -158.21 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.918 0.389 . . . . 0.0 110.499 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.4 mmt -103.78 18.05 22.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.664 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' C' ' 2' ' ' ASP . 27.4 p-10 -57.78 -37.91 74.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.935 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.72 -40.05 93.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.602 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . 0.634 ' N ' HD12 ' C' ' 4' ' ' ILE . 1.8 mp -62.63 -42.98 98.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -57.97 -46.16 85.6 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.226 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm -63.43 -43.3 97.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.854 0.359 . . . . 0.0 111.033 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.6 91.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.099 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.55 -44.76 95.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.112 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.22 -43.69 98.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.782 0.325 . . . . 0.0 110.822 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.55 -40.18 93.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.786 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -80.36 -38.81 29.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.035 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 32.1 mt -82.77 146.2 29.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.647 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 43.5 p -118.95 179.54 4.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.479 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -59.11 -39.3 81.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.329 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -61.48 -45.36 94.59 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.527 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -64.17 -39.66 94.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.398 0.618 . . . . 0.0 110.403 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -67.24 -37.98 84.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.912 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -59.57 -49.0 79.47 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.391 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -65.15 -34.38 78.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.386 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.27 -45.17 92.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.801 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -59.83 -44.54 93.99 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.878 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.38 87.56 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.441 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.09 94.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.61 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -61.49 -43.72 98.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.657 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -59.97 -41.4 91.88 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.488 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.0 -41.07 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.965 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -61.85 -45.84 92.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.907 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 27.7 m -74.96 -17.48 16.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.957 0.408 . . . . 0.0 110.525 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.56 111.22 3.5 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.669 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.77 -9.15 58.38 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.91 120.71 17.89 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.636 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -68.07 -41.97 81.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.625 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.58 -22.09 64.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.643 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.82 10.1 67.41 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 91.4 p -148.43 173.38 13.15 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.785 0.326 . . . . 0.0 110.572 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 69.0 mt -76.7 123.79 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 83.0 p -118.39 -175.8 2.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.695 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . 0.414 HG22 ' H ' ' C' ' 38' ' ' THR . 0.6 OUTLIER -59.47 -29.26 67.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.358 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -61.41 -44.68 96.71 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.711 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -66.26 -41.13 90.36 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.405 0.622 . . . . 0.0 110.369 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . 0.532 HD13 HD11 ' C' ' 61' ' ' ILE . 4.9 mt -68.0 -36.38 79.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.675 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.73 -44.11 97.25 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -61.71 -45.14 95.23 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.968 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.87 -44.58 98.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.441 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . 0.427 ' C ' ' O ' ' C' ' 50' ' ' GLN . 22.2 mmt -63.67 -38.47 91.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.619 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -58.47 -45.62 88.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.917 0.389 . . . . 0.0 110.422 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 74.0 mtm -65.32 -36.18 83.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.438 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.73 -8.67 37.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.66 9.61 52.29 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' C' ' 45' ' ' MET . 20.4 mm-40 -122.88 134.2 54.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.874 0.369 . . . . 0.0 110.629 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . 0.514 ' OD1' ' N ' ' C' ' 51' ' ' ASN . 8.1 p-10 -138.58 69.97 45.26 Favored Pre-proline 0 C--N 1.326 -0.45 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.357 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.0 155.43 68.23 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 123.21 2.606 . . . . 0.0 111.717 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 26.8 p -59.05 138.57 87.79 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 120.009 -0.676 . . . . 0.0 110.996 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.71 -38.58 77.21 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 122.301 2.001 . . . . 0.0 112.258 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -61.35 -45.36 94.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.347 . . . . 0.0 110.677 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.4 -39.35 93.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.684 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.79 -42.6 99.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -63.26 -42.04 99.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.779 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.31 -43.06 99.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.966 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . 0.703 ' O ' HG23 ' C' ' 64' ' ' VAL . 99.4 mtp -65.45 -39.56 92.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.951 0.405 . . . . 0.0 110.663 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . 0.532 HD11 HD13 ' C' ' 41' ' ' LEU . 1.2 mp -62.61 -40.59 88.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.385 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -60.57 -46.08 91.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.432 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -68.62 -39.14 80.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.82 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . 0.703 HG23 ' O ' ' C' ' 60' ' ' MET . 77.7 t -62.79 -39.89 86.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.452 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.523 ' OD2' ' N ' ' C' ' 71' ' ' THR . 97.6 m-20 -53.6 119.75 5.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 0.0 110.44 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 41.7 mp0 -67.68 -40.69 84.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.775 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -91.36 -0.09 57.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.26 25.31 73.57 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 99.0 p -61.17 -20.52 62.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.904 0.383 . . . . 0.0 110.716 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.23 -9.36 77.76 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . 0.523 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 68.4 p -137.91 172.43 12.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.636 0.255 . . . . 0.0 110.548 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 72.3 t -104.88 107.14 21.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.221 0.534 . . . . 0.0 110.551 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 45.0 p-10 -96.43 -169.45 1.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.653 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -56.76 -49.75 74.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.009 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.88 -46.81 87.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.005 0.431 . . . . 0.0 111.087 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -65.62 -38.76 90.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.425 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -59.94 -48.11 83.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.244 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . 0.525 ' O ' HG23 ' C' ' 82' ' ' VAL . 1.0 OUTLIER -57.43 -40.3 78.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.97 -179.515 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.99 -47.82 91.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-O 121.332 0.587 . . . . 0.0 110.545 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 89.5 mtp -63.59 -39.99 95.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.552 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 3.0 ttt -60.9 -38.86 87.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . 0.525 HG23 ' O ' ' C' ' 78' ' ' LEU . 57.9 t -60.43 -38.08 76.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.117 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' C' ' 83' ' ' ARG . 31.6 ttp-105 -49.47 -43.86 45.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.589 -178.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 25.3 mmt -68.9 -29.89 68.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.591 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -59.44 -46.65 88.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.331 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -68.92 -40.13 79.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.005 0.431 . . . . 0.0 110.429 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' C' ' 88' ' ' ASP . 54.7 t0 -66.6 -28.42 68.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.576 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 47.6 t -58.14 -48.07 81.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.498 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . 0.515 ' O ' ' C ' ' C' ' 91' ' ' ASN . 15.4 tm-20 -75.7 -57.52 3.83 Favored 'General case' 0 CA--C 1.51 -0.579 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.464 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 91' ' ' ASN . . . . . 0.515 ' C ' ' O ' ' C' ' 90' ' ' GLU . 24.2 t-20 12.56 76.31 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.659 0 O-C-N 124.49 1.119 . . . . 0.0 111.585 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 92' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' C' ' 94' ' ' PHE . 5.9 tp -158.32 128.34 5.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.144 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 4.2 t80 65.28 -65.9 0.15 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.3 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 94' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' C' ' 92' ' ' LEU . 57.4 t80 -97.12 95.74 7.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.362 -0.381 . . . . 0.0 109.996 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -125.25 72.31 1.24 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.565 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.45 -40.15 98.27 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -77.44 125.81 29.92 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.424 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -105.99 136.89 44.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.567 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . 0.431 HG22 ' H ' ' C' ' 101' ' ' ILE . 9.9 p -139.11 136.74 42.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.188 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 45.3 ttt-85 -125.47 34.23 4.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.468 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 101' ' ' ILE . . . . . 0.431 ' H ' HG22 ' C' ' 99' ' ' VAL . 78.7 mt -128.1 121.51 56.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.546 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 66.6 p -86.14 167.55 14.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.596 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.94 97.07 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.15 0.5 . . . . 0.0 110.286 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.52 -39.22 93.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.185 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.32 -38.94 88.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.341 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 54.3 ttm -59.48 -47.71 84.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.412 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 65.4 ttp -60.8 -44.3 97.03 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.123 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -63.35 -44.04 95.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.456 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.59 -40.76 97.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.442 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.51 -44.64 95.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.119 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 3.5 tp -76.51 -36.49 57.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.391 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.02 175.49 42.43 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.17 97.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.892 0.377 . . . . 0.0 110.672 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -57.62 129.97 44.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.58 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -165.13 -139.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.763 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm 62.45 178.31 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.434 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . 0.458 ' O ' ' O ' ' C' ' 120' ' ' ASP . 90.2 mt-10 -91.71 4.97 51.51 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.534 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 36.2 t -60.18 -40.35 89.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.346 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.11 -37.26 86.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.313 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . 0.464 ' O ' ' O ' ' C' ' 121' ' ' LEU . 75.0 m-20 -94.99 147.77 23.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.497 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . 0.464 ' O ' ' O ' ' C' ' 120' ' ' ASP . 0.6 OUTLIER 57.52 148.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.527 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.46 163.08 18.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.711 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . 57.67 -131.67 1.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.54 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 124' ' ' HIS . . . . . 0.526 ' CE1' ' O ' ' C' ' 125' ' ' LEU . 6.1 p80 -99.06 168.17 10.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.447 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . 0.526 ' O ' ' CE1' ' C' ' 124' ' ' HIS . 0.6 OUTLIER -55.75 141.01 40.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.552 -179.763 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.843 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -160.96 -30.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.403 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -64.09 -40.13 95.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.977 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.4 -12.78 9.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.374 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -82.02 121.77 26.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.402 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -128.82 156.45 43.59 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.574 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -85.48 3.87 86.53 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . 72.16 29.83 66.04 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 2.3 tp 71.08 19.45 5.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.674 0.273 . . . . 0.0 110.602 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 38.5 t -131.12 83.23 61.07 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.316 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.3 134.19 55.91 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.533 2.155 . . . . 0.0 111.731 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 3.9 mmm-85 178.24 -3.83 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 O-C-N 123.392 0.432 . . . . 0.0 110.493 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . -92.75 -154.91 31.53 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 10.1 m 44.67 93.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.849 0.356 . . . . 0.0 110.53 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.9 ptm -88.03 16.16 6.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.595 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -60.18 -39.83 87.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.541 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -62.9 -42.07 99.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.447 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.3 -45.51 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.444 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -58.94 -47.65 84.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.424 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.61 -44.19 97.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.402 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.67 -40.03 93.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.545 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . 0.441 ' HB2' HG21 ' C' ' 82' ' ' VAL . . . -60.81 -41.26 95.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.386 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.489 ' O ' ' O ' ' C' ' 12' ' ' LEU . 79.3 t -63.26 -40.77 90.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.069 0.461 . . . . 0.0 109.982 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.63 -46.31 90.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.351 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -72.59 -41.33 65.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.816 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' C' ' 9' ' ' VAL . 12.3 mt -117.57 133.64 55.74 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.194 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 58.1 p -81.97 163.56 22.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -62.98 -40.29 97.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.344 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . 0.45 ' O ' ' OE2' ' C' ' 19' ' ' GLU . 40.2 mp0 -63.67 -41.07 98.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.636 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -62.99 -41.19 99.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.334 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -61.39 -40.68 95.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.757 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.25 -44.21 97.62 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.518 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . 0.45 ' OE2' ' O ' ' C' ' 15' ' ' GLU . 0.8 OUTLIER -70.72 -42.49 70.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.873 0.368 . . . . 0.0 110.805 179.476 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -61.45 -25.9 67.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.606 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -54.89 -36.74 65.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.399 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.12 -41.61 97.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.933 0.397 . . . . 0.0 110.25 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.23 -40.39 95.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.102 0.477 . . . . 0.0 110.268 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . 0.62 ' CD2' ' CE2' ' C' ' 74' ' ' PHE . 62.9 t80 -62.66 -42.47 99.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.226 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -57.65 -39.58 77.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.027 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . 0.496 ' O ' HD23 ' C' ' 29' ' ' LEU . 96.7 mt -64.0 -41.8 93.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.204 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.19 -35.46 71.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 33.3 m -102.37 28.23 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . 0.614 HD12 ' O ' ' C' ' 29' ' ' LEU . 2.6 pp -63.07 122.76 16.86 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.598 0.713 . . . . 0.0 110.639 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 62.92 22.85 65.07 Favored Glycine 0 CA--C 1.523 0.549 0 C-N-CA 120.293 -0.956 . . . . 0.0 110.712 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.89 124.47 21.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 110.678 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.08 -39.98 78.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.768 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -91.97 -23.73 19.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.727 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.92 -5.81 79.16 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 94.4 p -122.41 174.99 6.68 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.76 0.314 . . . . 0.0 110.608 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 mm -82.23 129.16 37.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 9.5 t -131.44 -169.59 2.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.408 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 70.6 p -60.76 -36.38 78.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.676 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.83 -44.97 91.65 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.399 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -70.8 -40.67 72.39 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.994 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . 0.433 ' O ' ' SD ' ' C' ' 45' ' ' MET . 0.6 OUTLIER -60.09 -27.0 66.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.825 -179.842 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.38 -34.31 74.35 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.399 -1.081 . . . . 0.0 110.399 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -62.26 -41.84 98.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.771 0.319 . . . . 0.0 110.443 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 77.4 t -63.77 -44.77 98.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.429 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . 0.61 ' N ' ' SD ' ' C' ' 45' ' ' MET . 0.0 OUTLIER -61.95 -41.8 98.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.745 0.307 . . . . 0.0 111.141 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -61.43 -44.04 97.83 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.428 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 78.2 mtm -65.68 -39.29 91.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.324 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 2.6 mp -70.76 -13.16 61.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.15 4.11 78.33 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -95.0 150.03 20.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.36 . . . . 0.0 110.612 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -138.41 70.31 46.43 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . 0.456 ' HG2' HD21 ' C' ' 57' ' ' LEU . 57.3 Cg_endo -76.31 156.35 37.21 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.85 2.366 . . . . 0.0 112.618 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 53.9 p -69.68 153.07 95.94 Favored Pre-proline 0 N--CA 1.451 -0.422 0 C-N-CA 120.024 -0.67 . . . . 0.0 111.067 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -54.87 -38.84 92.37 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 122.088 1.859 . . . . 0.0 112.398 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -62.71 -42.42 99.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.862 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.5 -40.47 95.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.628 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . 0.456 HD21 ' HG2' ' C' ' 52' ' ' PRO . 71.3 mt -62.84 -40.27 96.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -60.07 -45.38 93.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.45 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.51 -38.12 88.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.83 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 34.4 tpp -59.78 -44.48 93.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.491 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . 0.407 HD11 HD12 ' C' ' 41' ' ' LEU . 97.8 mt -66.57 -40.21 85.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -58.51 -43.04 88.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.346 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -71.44 -40.62 70.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.738 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . 0.554 HG13 ' SD ' ' C' ' 80' ' ' MET . 63.5 t -67.27 -39.91 83.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.295 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.474 ' OD2' ' N ' ' C' ' 70' ' ' GLY . 80.8 m-20 -50.73 130.5 24.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.132 0.491 . . . . 0.0 110.643 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -68.82 -41.92 77.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.308 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -106.09 1.46 26.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.53 23.99 77.18 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 93.0 p -62.4 -19.86 63.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.961 0.41 . . . . 0.0 110.683 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . 0.474 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 95.44 -11.93 68.29 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 63.0 p -137.22 162.5 33.32 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.432 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.72 115.91 51.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.888 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.85 179.28 6.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.518 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . 0.62 ' CE2' ' CD2' ' C' ' 24' ' ' PHE . 0.2 OUTLIER -58.18 -50.64 72.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.573 -179.483 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.84 -46.6 89.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.888 0.375 . . . . 0.0 111.027 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -66.03 -37.41 85.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.363 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -59.1 -47.47 85.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.37 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.65 -41.55 90.83 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.064 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 55.4 t -61.84 -43.58 97.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.473 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . 0.554 ' SD ' HG13 ' C' ' 64' ' ' VAL . 12.7 mmm -57.51 -45.85 84.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.068 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 3.2 mtt -61.89 -45.56 93.19 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.769 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . 0.441 HG21 ' HB2' ' C' ' 8' ' ' ALA . 64.4 t -63.13 -46.09 96.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.884 0.373 . . . . 0.0 110.79 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.67 -41.42 92.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.747 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 60.8 mtt -61.69 -43.91 97.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.796 0.331 . . . . 0.0 110.674 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -64.57 -40.88 96.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.787 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -61.99 -47.43 84.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.809 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.99 -42.64 99.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 74.4 m -67.25 -43.31 82.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.086 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . 0.401 ' O ' HD12 ' C' ' 92' ' ' LEU . 12.0 mm-40 -64.38 -39.32 93.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.636 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 91' ' ' ASN . . . . . 0.453 HD21 ' HB3' ' C' ' 94' ' ' PHE . 61.8 t30 -76.74 116.41 17.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 92' ' ' LEU . . . . . 0.401 HD12 ' O ' ' C' ' 90' ' ' GLU . 3.9 mp -100.1 138.73 36.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.619 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 93' ' ' TYR . . . . . 0.606 ' O ' ' N ' ' C' ' 95' ' ' GLN . 1.9 m-85 51.71 -94.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.994 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 94' ' ' PHE . . . . . 0.453 ' HB3' HD21 ' C' ' 91' ' ' ASN . 0.6 OUTLIER 37.91 -85.78 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.092 0 O-C-N 123.49 0.494 . . . . 0.0 110.798 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 95' ' ' GLN . . . . . 0.606 ' N ' ' O ' ' C' ' 93' ' ' TYR . 20.6 mt-30 -76.92 127.36 32.57 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.249 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -63.3 -39.84 98.29 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.341 -0.703 . . . . 0.0 111.341 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 87.1 mmt-85 -62.28 149.28 42.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.133 0.492 . . . . 0.0 110.639 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -131.28 172.03 12.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.925 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . 0.424 HG22 ' H ' ' C' ' 99' ' ' VAL . 4.8 m -87.15 86.83 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.515 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -81.44 -18.59 44.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.643 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 2.9 mp -105.18 112.34 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.413 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 82.8 p -73.66 161.2 30.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.605 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.54 99.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.636 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -64.53 -43.16 94.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.455 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.59 -40.64 95.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.546 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 64.9 ttp -61.93 -44.13 97.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.386 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -41.52 95.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.526 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' C' ' 112' ' ' GLY . 71.3 mt-30 -62.1 -40.97 97.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.711 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.03 93.5 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.674 -0.411 . . . . 0.0 111.055 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 18.5 mt -67.89 -43.44 79.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.197 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 9.3 mp -76.09 -38.09 57.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.708 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 112' ' ' GLY . . . . . 0.447 ' O ' ' HB3' ' C' ' 113' ' ' ALA . . . 59.92 -133.48 51.12 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' C' ' 112' ' ' GLY . . . 66.15 -153.26 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 0.0 110.81 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -74.76 155.04 38.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.545 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -85.48 -136.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.484 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.46 143.2 53.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.782 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.91 -14.02 58.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.559 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 47.0 t -58.36 -38.86 78.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.033 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 97.3 mt -81.45 -7.09 59.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.792 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -124.61 24.0 7.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.56 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 4.3 tt -163.39 132.24 3.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.689 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' C' ' 123' ' ' ALA . 0.0 OUTLIER -118.8 -5.52 10.63 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.938 -179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' C' ' 122' ' ' ARG . . . 60.63 125.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.434 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 124' ' ' HIS . . . . . 0.443 ' O ' ' O ' ' C' ' 125' ' ' LEU . 84.9 t60 -106.15 111.62 24.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.531 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' C' ' 124' ' ' HIS . 68.5 mt 44.14 -171.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.731 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 62.2 pttt . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.602 -179.946 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -64.77 -20.16 66.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.434 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -58.42 -38.31 77.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.577 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' -10' ' ' HIS . . . . . 0.423 ' O ' ' CB ' ' C' ' -9' ' ' HIS . 96.3 m-70 -64.21 -39.33 93.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.495 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' -9' ' ' HIS . . . . . 0.423 ' CB ' ' O ' ' C' ' -10' ' ' HIS . 13.2 t-80 76.43 -45.88 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.456 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 60.08 151.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.644 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . 88.92 -6.05 84.02 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . -98.69 59.02 0.91 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 7.3 mp -112.08 178.71 4.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.634 0.254 . . . . 0.0 110.457 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 40.8 t -122.65 87.5 49.64 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.121 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -51.99 -173.73 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.795 2.33 . . . . 0.0 112.294 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -46.65 141.07 4.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.366 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . -126.5 -131.1 3.49 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 4.3 t -82.73 -83.24 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.851 0.358 . . . . 0.0 110.418 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.458 ' CB ' HD12 ' C' ' 4' ' ' ILE . 2.9 mpp? -73.1 67.75 0.92 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.145 0.498 . . . . 0.0 110.149 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' C' ' 3' ' ' ASP . 46.2 p-10 -58.6 -30.91 67.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.37 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' C' ' 2' ' ' ASP . 34.4 p-10 -60.91 -44.85 96.58 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.905 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . 0.492 ' N ' ' OD1' ' C' ' 3' ' ' ASP . 94.9 mt -63.37 -46.81 94.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.019 0.437 . . . . 0.0 110.961 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -66.83 -39.03 87.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.009 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -61.38 -41.91 97.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.556 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.13 -41.96 99.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.681 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.3 99.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.11 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.457 ' O ' ' O ' ' C' ' 12' ' ' LEU . 74.9 t -64.93 -40.09 87.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.423 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.34 -42.42 98.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.861 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -79.59 -40.54 29.12 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.505 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.457 ' O ' ' O ' ' C' ' 9' ' ' VAL . 1.1 mp -117.38 143.77 45.63 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.795 -179.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 68.3 p -107.47 163.27 13.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.695 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -61.97 -39.72 93.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.801 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.52 -41.55 98.92 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.332 0.587 . . . . 0.0 110.29 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -64.23 -38.75 92.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.155 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -59.35 -41.67 89.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.143 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -59.41 -46.38 88.86 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.04 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -68.32 -40.39 81.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.153 0.501 . . . . 0.0 110.644 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -61.79 -23.03 65.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.478 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -54.54 -38.38 66.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.012 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.1 98.02 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.367 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.86 95.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.406 0.622 . . . . 0.0 110.482 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . 0.459 ' CE2' ' CE2' ' C' ' 74' ' ' PHE . 57.5 t80 -66.78 -38.81 87.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.562 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -58.87 -49.4 77.9 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.914 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 35.9 pt -65.8 -31.41 53.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.476 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.21 -46.99 47.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.03 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 2.0 p -80.54 -2.28 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.438 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . 0.441 ' O ' ' OE2' ' C' ' 40' ' ' GLU . 60.9 tp -56.03 129.75 41.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.109 0.481 . . . . 0.0 110.35 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.65 -13.54 67.02 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.52 97.99 9.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.972 0.415 . . . . 0.0 110.198 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.81 -21.59 66.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.606 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.42 -21.27 66.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.422 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.12 -4.2 84.54 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 64.6 m -132.35 149.62 52.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 110.796 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 10.4 pt -57.96 122.12 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.052 0.453 . . . . 0.0 110.585 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 73.6 p -114.83 -178.65 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.395 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 74.2 p -63.93 -35.33 80.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.382 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -61.78 -46.51 89.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.571 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.441 ' OE2' ' O ' ' C' ' 29' ' ' LEU . 1.3 mm-40 -68.79 -45.06 72.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.578 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . 0.534 ' O ' ' SD ' ' C' ' 45' ' ' MET . 86.4 mt -62.26 -28.72 69.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.873 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.63 -38.59 91.89 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -61.45 -39.49 91.02 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.773 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.19 -45.53 98.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.403 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . 0.597 ' SD ' ' N ' ' C' ' 45' ' ' MET . 0.0 OUTLIER -61.17 -42.09 97.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.772 0.32 . . . . 0.0 110.68 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.54 -39.45 93.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.395 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 51.4 ttm -60.99 -41.27 96.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.201 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 tp -73.18 -11.45 60.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.57 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.26 -5.95 59.33 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -88.12 139.23 30.72 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 120.923 0.392 . . . . 0.0 110.795 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -71.01 148.15 94.27 Favored Pre-proline 0 C--N 1.327 -0.409 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.623 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.85 141.21 53.13 Favored 'Trans proline' 0 N--CA 1.491 1.382 0 C-N-CA 122.041 1.828 . . . . 0.0 112.112 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 1.1 p -138.27 106.18 7.9 Favored Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.991 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.27 -21.43 35.8 Favored 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 121.912 1.741 . . . . 0.0 112.331 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -73.27 -49.36 28.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.052 0.453 . . . . 0.0 111.486 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.56 -37.17 60.15 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.055 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 69.0 mt -62.28 -43.07 99.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.788 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -67.79 -38.66 83.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.126 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -69.91 -41.73 74.28 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.707 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . 0.789 ' O ' HG22 ' C' ' 64' ' ' VAL . 14.2 tpt -66.87 -48.51 68.55 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.625 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 17.8 tt -63.15 -34.49 67.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -68.69 -46.56 68.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.34 -46.31 87.22 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.293 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . 0.789 HG22 ' O ' ' C' ' 60' ' ' MET . 35.1 m -75.14 -15.71 15.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.616 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.553 ' OD2' ' N ' ' C' ' 69' ' ' SER . 51.7 t0 -45.66 151.03 0.45 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.263 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . 0.549 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 13.5 tm-20 -78.89 -49.88 12.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.856 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . 0.468 ' CG ' ' HG ' ' C' ' 69' ' ' SER . 35.5 p30 -114.38 7.03 16.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.32 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.21 23.28 77.83 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 120.318 -0.944 . . . . 0.0 111.226 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . 0.553 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 51.0 m -65.42 -16.47 63.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.4 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.25 -12.77 69.11 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 78.5 p -135.54 164.0 28.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.629 0.252 . . . . 0.0 110.475 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 59.9 t -109.85 105.98 19.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.551 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.01 177.88 7.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.487 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . 0.459 ' CE2' ' CE2' ' C' ' 24' ' ' PHE . 62.6 m-85 -60.12 -49.0 79.37 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.982 0.42 . . . . 0.0 110.763 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -65.01 -39.71 93.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.572 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.88 -39.93 95.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.792 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -60.33 -47.37 86.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.525 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.63 -48.02 83.63 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.513 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . 0.508 ' O ' HG22 ' C' ' 82' ' ' VAL . 64.0 t -69.54 -45.56 77.96 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.602 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 64.4 ttp -58.81 -25.26 63.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -53.02 -37.93 61.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.437 -179.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . 0.508 HG22 ' O ' ' C' ' 79' ' ' VAL . 1.6 m -72.08 -35.72 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.38 . . . . 0.0 110.755 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' C' ' 84' ' ' 4J4 . 63.8 ttm-85 -62.03 -38.57 89.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.248 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 84' ' ' 4J4 . . . . . 0.452 ' SG ' ' N ' ' C' ' 85' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . 0.452 ' N ' ' SG ' ' C' ' 84' ' ' 4J4 . 3.8 mtt -62.9 -39.62 95.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.721 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -65.47 -40.99 93.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.692 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -62.24 -45.82 91.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.496 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -64.12 -38.04 89.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.878 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 74.9 m -59.49 -37.28 77.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.534 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -55.48 -27.19 46.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.385 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 91' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -80.59 0.61 33.27 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.118 0.485 . . . . 0.0 110.783 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 42.88 -143.95 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.614 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -113.23 44.86 1.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.764 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.59 -36.77 25.16 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.93 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -101.7 156.7 17.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.713 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -60.81 -42.25 99.45 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 95.0 mtm-85 -87.31 153.9 21.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 0.0 110.977 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.2 -155.8 0.45 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.273 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 3.0 m -42.28 123.05 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.927 0.394 . . . . 0.0 110.36 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 100' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' C' ' 100' ' ' ARG . 0.0 OUTLIER -47.62 -68.87 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.749 -179.785 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 82.0 mt -127.68 128.29 69.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.256 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 2.2 m -65.09 158.9 24.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.006 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.55 96.76 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.942 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 104' ' ' ASP . . . . . 0.461 ' CG ' ' N ' ' C' ' 105' ' ' ALA . 0.6 OUTLIER -67.61 -44.26 78.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.34 -179.728 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 105' ' ' ALA . . . . . 0.461 ' N ' ' CG ' ' C' ' 104' ' ' ASP . . . -61.78 -38.87 89.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.437 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 37.8 ttm -59.36 -46.36 88.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.528 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 11.6 tpp -60.88 -46.8 89.17 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.673 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -62.44 -41.6 98.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.635 -178.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.14 99.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 10.2 tp -73.75 -50.27 21.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.445 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 62.8 tp -62.86 -48.26 79.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.83 -149.72 17.12 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -109.32 -38.94 5.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.731 0.301 . . . . 0.0 110.796 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 40.5 mtt85 -65.12 117.93 8.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.041 0.448 . . . . 0.0 110.899 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -91.15 175.03 7.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.217 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 7.4 mmmt -126.74 154.62 43.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.742 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 68.76 3.1 3.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.466 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 90.1 p -63.34 -23.18 67.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.518 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 2.1 mp -61.69 -30.59 70.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.508 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -81.88 144.63 30.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.622 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -148.92 -172.98 4.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.743 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -62.37 -19.0 62.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.177 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.05 86.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.399 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 54.71 93.64 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.916 0.389 . . . . 0.0 110.618 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 89.4 mt -75.48 150.47 38.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.668 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 98.0 mttt . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.443 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' -13' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' C' ' -11' ' ' HIS . 61.7 m170 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 11.2 m80 51.89 -88.47 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.682 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' -11' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' C' ' -13' ' ' HIS . 44.0 t-80 57.82 48.31 13.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.488 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 42.2 p-80 -65.62 157.97 28.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.571 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -151.36 131.23 13.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.445 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -109.11 138.21 45.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -85.8 -169.98 46.54 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . 92.58 -9.89 75.04 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 3.5 tp -114.27 55.44 0.74 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.841 0.353 . . . . 0.0 110.444 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 13.0 t -133.8 68.66 75.53 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.393 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -70.84 151.46 62.91 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.765 2.31 . . . . 0.0 112.088 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 24.5 ttm180 48.81 74.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.539 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . -74.41 153.93 46.86 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.61 116.62 2.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.851 0.358 . . . . 0.0 110.422 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 60.3 mmm 58.78 18.94 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.215 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.57 -38.32 89.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -57.43 -47.63 81.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.541 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 90.3 mt -62.84 -41.33 92.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.981 0.419 . . . . 0.0 110.156 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -62.3 -41.76 98.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.145 0.498 . . . . 0.0 110.188 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -64.83 -39.85 94.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.486 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.51 91.06 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.519 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.21 92.19 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 121.154 0.502 . . . . 0.0 110.353 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 60.5 t -71.34 -40.29 73.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.995 0.426 . . . . 0.0 110.937 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -61.03 -48.82 80.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.948 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . 0.403 HE21 ' C ' ' C' ' 11' ' ' GLN . 0.0 OUTLIER -66.05 -38.04 87.36 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.176 179.722 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 39.9 mt -62.35 136.96 58.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.772 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.1 p -95.07 167.57 11.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.68 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.24 -39.66 91.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.405 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.44 -46.07 91.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -66.22 -41.04 90.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.464 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -67.3 -41.77 84.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.232 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -61.98 -45.13 94.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.604 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.65 -46.4 89.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.438 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -63.27 -41.53 99.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.691 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -63.28 -42.93 99.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.616 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.24 -44.07 97.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.489 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.71 -39.75 95.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.447 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -59.2 -46.59 88.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.78 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -58.74 -43.05 90.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.082 0.468 . . . . 0.0 110.541 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 87.3 mt -59.99 -43.86 93.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.822 0.344 . . . . 0.0 110.643 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -69.82 -37.0 76.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.06 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.15 -16.19 19.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.123 -178.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.51 128.07 34.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.198 -179.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.1 -8.71 45.63 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.39 119.65 36.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.829 0.347 . . . . 0.0 110.487 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -65.45 -38.56 90.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.808 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -64.45 -25.92 68.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.526 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.77 14.73 57.7 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 88.0 p -136.11 168.52 19.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.791 0.329 . . . . 0.0 110.612 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 3.9 pt -85.56 119.51 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.536 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 97.4 p -110.61 -162.2 0.79 Allowed 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.7 p -66.23 -32.04 73.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.574 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -59.99 -44.66 94.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.951 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 37.3 mp0 -64.92 -41.47 95.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.995 0.426 . . . . 0.0 110.518 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -37.35 87.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.207 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.36 -40.77 99.1 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -61.94 -42.43 99.1 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.1 0.476 . . . . 0.0 109.961 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 63.2 t -62.66 -42.94 97.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.217 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 23.6 mmt -61.99 -37.75 86.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.109 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . 0.697 ' HE ' ' ND2' ' C' ' 51' ' ' ASN . 4.1 mmt85 -60.63 -40.58 92.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.07 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 22.8 mtt -62.61 -39.12 92.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.94 0.4 . . . . 0.0 110.282 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 18.9 mt -72.68 -10.02 59.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.504 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.9 18.74 49.97 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -125.97 148.4 49.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.889 0.376 . . . . 0.0 110.355 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . 0.697 ' ND2' ' HE ' ' C' ' 46' ' ' ARG . 18.0 t-20 -140.47 71.54 31.87 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.582 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -60.66 152.07 71.63 Favored 'Trans proline' 0 C--N 1.304 -1.763 0 C-N-CA 122.959 2.44 . . . . 0.0 112.098 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.57 155.15 61.39 Favored Pre-proline 0 N--CA 1.453 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.585 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -60.57 -32.18 93.15 Favored 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.541 2.161 . . . . 0.0 112.351 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -62.87 -45.83 90.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.629 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -63.96 -39.66 94.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.732 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 98.5 mt -62.88 -40.17 96.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.616 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -64.12 -40.99 97.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.042 0.448 . . . . 0.0 110.445 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -71.74 -39.5 70.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.78 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 59.3 ttm -62.15 -49.27 76.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.164 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 14.4 tt -69.49 -31.59 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.615 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.34 -43.99 96.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.796 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.54 -41.4 93.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.804 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . 0.522 ' O ' ' NH2' ' C' ' 83' ' ' ARG . 75.7 t -68.15 -39.48 81.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.594 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 23.7 t0 -39.02 152.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.401 -179.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . 0.528 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 2.5 tt0 -91.49 -41.83 10.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.035 -179.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -104.04 -1.65 27.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.24 15.78 74.91 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 46.8 m -68.14 -18.03 64.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 110.486 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.32 -4.01 82.38 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 88.7 m -131.42 137.66 48.74 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.712 0.291 . . . . 0.0 110.482 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 73.2 t -117.08 128.04 74.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.736 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . 0.474 ' CG ' ' H ' ' C' ' 74' ' ' PHE . 35.3 t0 -104.95 -171.78 1.98 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.746 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . 0.474 ' H ' ' CG ' ' C' ' 73' ' ' ASP . 0.2 OUTLIER -59.56 -51.08 71.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.172 179.567 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -59.22 -50.52 73.71 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.761 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.23 -40.05 96.35 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.719 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -59.17 -48.66 80.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.869 0.366 . . . . 0.0 111.186 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -53.7 49.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.316 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . 0.425 HG23 ' N ' ' C' ' 80' ' ' MET . 34.4 m -72.87 -37.7 55.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.227 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . 0.466 ' SD ' ' CG1' ' C' ' 64' ' ' VAL . 17.3 tmm? -61.37 -39.66 91.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.411 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . 0.463 ' C ' ' SD ' ' C' ' 81' ' ' MET . 0.0 OUTLIER -50.55 -49.0 57.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.653 -178.843 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 73.0 t -69.6 -44.59 79.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.907 0.384 . . . . 0.0 110.958 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . 0.522 ' NH2' ' O ' ' C' ' 64' ' ' VAL . 23.2 ttp180 -62.56 -41.19 98.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 -179.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 84' ' ' 4J4 . . . . . 0.47 ' OAF' ' CAQ' ' C' ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 67.3 mtt -62.09 -38.5 89.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.831 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -58.36 -25.99 62.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.577 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -59.53 -48.67 80.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.352 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -67.51 -38.94 85.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.066 0.46 . . . . 0.0 110.399 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 47.4 t -60.13 -38.89 84.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.549 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -45.41 -24.98 0.36 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.476 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 91' ' ' ASN . . . . . 0.407 ' O ' ' CB ' ' C' ' 92' ' ' LEU . 59.6 t-20 -58.96 -39.32 81.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.551 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 92' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' C' ' 91' ' ' ASN . 2.0 tp 74.94 150.91 0.12 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.612 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 2.6 t80 71.99 101.77 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.308 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -88.24 127.63 35.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.461 -179.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -80.55 -16.19 54.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.736 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . 133.81 -42.87 1.32 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -126.61 109.09 11.73 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.804 0.335 . . . . 0.0 110.553 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -64.03 -43.98 93.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.878 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 44.6 t -128.08 128.62 69.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.229 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -62.77 -44.72 95.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.801 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 84.1 mt -104.61 129.16 57.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.57 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 67.8 m -61.75 151.33 34.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.705 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.06 78.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.509 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -58.73 -44.03 90.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.519 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.71 98.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.896 0.379 . . . . 0.0 110.671 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 93.4 mmm -63.23 -44.57 94.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.749 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 94.5 mtp -65.49 -42.56 92.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -66.17 -41.75 89.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.67 -40.65 95.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.75 -51.57 58.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.985 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 85.1 mt -65.04 -42.13 94.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.981 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . 63.76 25.91 69.48 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.77 -41.45 97.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.768 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -86.29 141.9 28.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.8 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -93.97 179.44 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.599 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -101.36 153.93 19.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.471 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . 0.522 ' N ' ' OE1' ' C' ' 117' ' ' GLU . 0.3 OUTLIER -119.62 76.33 1.13 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 121.437 0.637 . . . . 0.0 110.537 -179.249 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 71.1 m -66.62 -41.92 87.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.966 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 12.3 mt -96.98 -6.32 35.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.123 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' C' ' 121' ' ' LEU . 0.9 OUTLIER 45.81 -147.21 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.562 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' C' ' 120' ' ' ASP . 2.2 mp 50.9 176.55 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.62 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 40.78 36.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.664 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -139.91 -69.08 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.683 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -117.48 157.67 25.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.587 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.62 135.65 54.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.5 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.583 -179.928 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -117.9 118.98 33.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.267 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.96 -73.08 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.389 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' -10' ' ' HIS . . . . . 0.503 ' O ' ' CD2' ' C' ' -8' ' ' HIS . 71.0 m80 -129.58 -12.55 4.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.656 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 53.86 22.07 3.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.65 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' -8' ' ' HIS . . . . . 0.503 ' CD2' ' O ' ' C' ' -10' ' ' HIS . 64.6 m170 -100.7 -2.71 31.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.6 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -62.17 -39.75 98.07 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . -174.49 -175.76 42.3 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.85 -56.4 17.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.886 0.374 . . . . 0.0 110.573 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 47.7 t -145.88 70.3 13.5 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.485 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.86 130.31 39.67 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.635 2.224 . . . . 0.0 111.865 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' -2' ' ' ARG . . . . . 0.697 ' HE ' HH12 ' C' ' 83' ' ' ARG . 53.2 ttm-85 -70.17 -38.86 75.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.417 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . 108.29 -121.05 6.17 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 70.6 m -154.64 85.11 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.711 0.291 . . . . 0.0 110.685 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mtt -109.92 93.71 4.64 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.116 0.484 . . . . 0.0 110.107 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.01 -28.75 69.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.555 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -58.81 -46.38 87.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.486 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.29 -41.3 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.575 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.532 ' CE2' HG21 ' C' ' 79' ' ' VAL . 7.2 m-85 -58.89 -47.32 85.36 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.107 0.479 . . . . 0.0 110.591 -178.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -66.31 -39.74 89.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.262 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.58 88.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.656 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . 0.652 ' HB1' HG21 ' C' ' 82' ' ' VAL . . . -60.04 -41.58 92.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.167 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.461 ' O ' HD23 ' C' ' 12' ' ' LEU . 73.3 t -63.56 -41.26 92.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.25 0.548 . . . . 0.0 110.118 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -60.25 -35.43 75.47 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.441 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -91.25 10.16 28.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.55 -178.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.676 HD12 ' N ' ' C' ' 13' ' ' THR . 0.7 OUTLIER -67.27 152.29 45.99 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 179.618 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . 0.676 ' N ' HD12 ' C' ' 12' ' ' LEU . 71.9 p -110.26 148.67 31.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.877 0.37 . . . . 0.0 110.607 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . 0.43 ' O ' ' OD1' ' C' ' 18' ' ' ASN . 98.8 mt-10 -68.18 -38.23 81.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.912 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -60.47 -45.25 94.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.502 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -68.3 -40.32 81.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.956 0.408 . . . . 0.0 110.393 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.9 -41.68 99.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' C' ' 14' ' ' GLU . 27.2 m120 -60.88 -42.31 97.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.802 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -45.8 86.84 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.001 0.429 . . . . 0.0 110.285 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.618 ' CD2' ' CZ ' ' C' ' 77' ' ' PHE . 87.4 t80 -62.79 -38.57 91.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.367 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -57.01 -46.53 82.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.409 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.88 -45.03 83.56 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.111 -0.635 . . . . 0.0 110.435 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.02 -24.97 67.65 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.033 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . 0.758 ' O ' HG22 ' C' ' 28' ' ' VAL . 85.4 t80 -55.69 -38.06 69.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.259 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -60.57 -44.06 96.61 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.607 -179.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 91.4 mt -72.39 -39.72 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.739 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . 0.467 ' O ' ' OE2' ' C' ' 40' ' ' GLU . 0.5 OUTLIER -61.21 -28.56 69.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 -179.436 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.758 HG22 ' O ' ' C' ' 24' ' ' PHE . 16.7 m -112.07 27.06 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 110.496 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . 0.522 HD13 ' N ' ' C' ' 30' ' ' GLY . 0.2 OUTLIER -63.96 115.96 5.38 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.356 -179.576 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . 0.522 ' N ' HD13 ' C' ' 29' ' ' LEU . . . 86.51 -3.18 87.27 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.3 96.51 10.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.177 0.513 . . . . 0.0 110.43 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -69.74 -16.92 63.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.363 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' C' ' 33' ' ' ASP . 48.4 t0 -65.44 -27.92 68.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.598 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.52 10.82 85.6 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.706 -0.957 . . . . 0.0 110.706 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 58.4 m -136.5 160.52 38.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.725 0.297 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 89.5 mt -86.85 114.9 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.361 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 85.5 p -109.48 -177.76 3.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.519 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.2 p -63.22 -37.4 87.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.206 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.2 -40.68 96.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.64 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.467 ' OE2' ' O ' ' C' ' 27' ' ' PHE . 37.4 tp10 -64.03 -43.84 94.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.453 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.12 -41.4 94.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.3 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.65 -39.32 96.42 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.481 -1.047 . . . . 0.0 110.481 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.77 -44.22 97.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.961 0.41 . . . . 0.0 110.263 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 68.4 t -62.22 -44.04 98.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.132 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 26.2 mmt -65.02 -35.35 80.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.107 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 49.1 ttm-85 -56.19 -47.59 78.04 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 72.6 mtm -65.03 -38.21 90.15 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.513 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.39 -12.26 5.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.588 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.69 9.06 61.66 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -109.63 148.37 31.45 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -128.51 71.88 80.49 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.094 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . 0.445 ' HG2' HD11 ' C' ' 57' ' ' LEU . 54.4 Cg_endo -73.84 150.47 44.27 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.668 2.245 . . . . 0.0 112.032 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 69.4 p -81.06 153.81 72.32 Favored Pre-proline 0 C--N 1.324 -0.542 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.517 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.47 -30.81 87.29 Favored 'Trans proline' 0 N--CA 1.498 1.74 0 C-N-CA 121.866 1.711 . . . . 0.0 112.367 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.78 -47.46 86.24 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.366 -178.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' C' ' 57' ' ' LEU . 4.9 pt-20 -72.41 -37.33 68.7 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.321 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . 0.445 HD11 ' HG2' ' C' ' 52' ' ' PRO . 85.6 mt -63.64 -42.11 98.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.753 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -65.67 -43.07 90.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.025 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -64.41 -41.37 96.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 26.3 ttt -62.79 -45.63 91.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.686 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' C' ' 65' ' ' ASP . 92.3 mt -65.6 -41.96 91.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.743 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -57.58 -43.51 84.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.5 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -62.99 -42.36 99.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.135 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . 0.441 ' O ' HG12 ' C' ' 64' ' ' VAL . 75.3 t -81.83 -12.84 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.792 -179.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' C' ' 69' ' ' SER . 52.3 t0 -61.97 137.55 58.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.276 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . 0.523 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 8.8 tm-20 -88.95 -40.27 13.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.164 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.76 -1.14 28.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.19 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . 0.522 ' H ' ' CG ' ' C' ' 65' ' ' ASP . . . 66.35 22.02 70.8 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . 0.535 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 99.9 p -72.0 -12.66 61.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.693 0.282 . . . . 0.0 110.799 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.12 5.34 89.76 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 58.2 p -131.0 164.25 25.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.614 0.245 . . . . 0.0 110.586 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 47.0 t -120.11 117.51 53.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.876 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -104.21 -169.65 1.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.508 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . 0.467 ' CZ ' ' CE1' ' C' ' 24' ' ' PHE . 29.7 m-85 -59.26 -42.99 92.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.026 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.38 -45.16 94.41 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.979 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -71.04 -28.95 64.75 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 121.181 0.515 . . . . 0.0 110.65 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . 0.618 ' CZ ' ' CD2' ' C' ' 20' ' ' PHE . 0.0 OUTLIER -64.11 -39.44 94.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.434 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . 0.449 ' O ' HG22 ' C' ' 82' ' ' VAL . 18.1 mt -59.86 -45.47 92.34 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.481 -179.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . 0.532 HG21 ' CE2' ' C' ' 5' ' ' TYR . 0.8 OUTLIER -71.56 -30.09 37.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.14 -179.696 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 66.6 ttp -68.34 -42.21 79.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.981 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 6.3 tpt -63.99 -51.15 65.65 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.025 0.441 . . . . 0.0 111.1 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . 0.652 HG21 ' HB1' ' C' ' 8' ' ' ALA . 31.1 m -66.35 -30.84 51.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . 0.697 HH12 ' HE ' ' C' ' -2' ' ' ARG . 61.4 ttt85 -59.94 -45.17 93.48 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.036 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 84' ' ' 4J4 . . . . . 0.583 ' SG ' ' N ' ' C' ' 85' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . 0.583 ' N ' ' SG ' ' C' ' 84' ' ' 4J4 . 34.8 mtt -62.8 -42.93 99.92 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.942 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.72 -40.4 96.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.811 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.87 -40.46 97.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.446 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.33 -39.52 94.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.443 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 70.7 m -61.3 -44.15 97.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -65.0 -42.8 94.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.951 0.405 . . . . 0.0 110.77 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 91' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -65.77 -23.63 66.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.695 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 24.0 tp -54.3 -36.21 63.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.731 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -62.92 -26.33 68.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.541 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -106.33 137.5 44.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.731 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 52.79 -161.08 0.11 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.405 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -103.06 -138.6 10.01 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -83.14 8.02 14.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.779 0.323 . . . . 0.0 110.261 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -52.84 123.53 11.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.269 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . 0.71 HG22 ' O ' ' C' ' 99' ' ' VAL . 14.8 p -173.37 25.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.478 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 5.4 tpp85 65.98 -78.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.392 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 87.3 mt -130.05 126.48 62.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.415 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 54.9 m -87.64 161.83 17.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.705 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.69 -41.18 94.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.5 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -62.17 -41.5 98.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.484 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.71 -41.02 98.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.633 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 106' ' ' MET . . . . . 0.434 ' SD ' ' C ' ' C' ' 106' ' ' MET . 15.2 tmm? -61.53 -44.71 96.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.544 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -47.59 81.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.348 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -62.41 -46.51 88.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.558 -179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.58 93.54 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.923 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.11 -47.81 72.94 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.63 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 111' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' C' ' 113' ' ' ALA . 43.0 tp -65.52 -45.14 84.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.381 -178.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . 61.36 -72.34 0.01 OUTLIER Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' C' ' 111' ' ' LEU . . . -63.3 164.36 9.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.379 . . . . 0.0 110.845 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -58.9 168.24 1.34 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.648 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -85.93 -170.95 3.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.382 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.45 154.16 6.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.89 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.43 112.89 24.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.709 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 72.4 m -61.26 -30.04 70.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.553 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 119' ' ' LEU . . . . . 0.451 ' O ' ' O ' ' C' ' 120' ' ' ASP . 37.0 mt -56.54 -34.69 67.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.468 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' C' ' 119' ' ' LEU . 92.1 m-20 -59.45 -125.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.818 0.342 . . . . 0.0 110.129 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 22.4 mt -70.16 142.45 52.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.841 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 12.4 mpt_? -69.23 145.13 53.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.369 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -116.58 149.09 40.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.645 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 55.3 m170 -81.73 79.72 8.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.339 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.33 129.01 37.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.556 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.64 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 39.5 m80 . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -68.91 145.49 53.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.371 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 44.0 m170 -98.76 5.74 47.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.556 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -103.87 132.61 49.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.483 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -127.82 100.01 5.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.414 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 46.05 -111.33 0.3 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.431 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . 67.29 36.89 90.32 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . -58.76 -31.34 67.48 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 11.8 mt 57.0 67.08 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.662 0.268 . . . . 0.0 110.767 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' -4' ' ' VAL . . . . . 0.694 ' O ' HG13 ' C' ' -4' ' ' VAL . 15.0 p -131.27 64.11 72.3 Favored Pre-proline 0 N--CA 1.454 -0.243 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.442 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -72.71 137.73 27.86 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.492 2.128 . . . . 0.0 112.297 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 13.0 mmp_? -91.18 -27.25 18.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.722 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . 156.61 -156.48 27.18 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 22.9 p -60.17 -162.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.985 0.421 . . . . 0.0 110.449 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.42 32.68 22.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.431 0.634 . . . . 0.0 110.681 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -58.46 -37.84 76.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.686 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -61.66 -45.34 94.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.861 0.362 . . . . 0.0 110.748 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . 0.417 HG22 ' N ' ' C' ' 5' ' ' TYR . 0.1 OUTLIER -64.43 -44.17 97.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.559 -0.456 . . . . 0.0 109.995 179.549 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.417 ' N ' HG22 ' C' ' 4' ' ' ILE . 60.1 t80 -60.51 -46.82 88.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.85 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -60.61 -39.11 86.95 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.57 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.05 -42.96 95.6 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.289 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.09 97.23 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.529 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.471 ' O ' ' O ' ' C' ' 12' ' ' LEU . 77.8 t -66.5 -40.95 87.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.009 0.433 . . . . 0.0 110.617 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -61.33 -29.41 69.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.984 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -91.74 -33.78 14.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.471 ' O ' ' O ' ' C' ' 9' ' ' VAL . 37.2 mt -100.29 142.64 31.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.084 0.468 . . . . 0.0 110.529 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 78.2 p -77.35 166.58 22.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.803 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -62.94 -36.21 82.68 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.086 0.47 . . . . 0.0 110.585 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.09 -44.06 95.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.164 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -63.61 -38.57 91.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.247 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.86 -47.18 68.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.009 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -61.94 -44.51 96.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -62.87 -38.3 90.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.378 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.427 ' CE2' HD13 ' C' ' 12' ' ' LEU . 5.1 m-85 -59.59 -42.71 93.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.748 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . 0.5 ' NZ ' ' CE1' ' C' ' 74' ' ' PHE . 9.2 mmtm -60.68 -48.18 82.93 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.728 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.75 -41.62 78.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.835 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.44 -45.21 95.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.852 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -61.3 -45.94 92.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.587 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -57.74 -40.41 79.59 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.588 0.555 . . . . 0.0 110.618 -179.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.43 -42.31 95.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.009 0.433 . . . . 0.0 110.6 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -58.83 -43.11 90.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.347 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 35.5 m -87.91 18.99 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.91 0.385 . . . . 0.0 110.603 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 tp -70.02 121.44 17.42 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.18 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.09 20.32 73.09 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.1 127.9 34.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.989 0.424 . . . . 0.0 110.455 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -79.83 -29.47 40.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.765 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -102.56 6.15 39.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.732 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.2 1.25 89.92 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 37.8 t -152.8 146.22 24.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 tt -53.5 141.2 8.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.497 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 49.6 m -123.23 176.55 6.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.727 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . 0.419 HG23 ' N ' ' C' ' 39' ' ' LYS . 12.7 t -60.75 -36.68 79.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.758 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . 0.486 ' HG3' ' H ' ' C' ' 40' ' ' GLU . 0.0 OUTLIER -53.1 -48.46 67.77 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.213 0.53 . . . . 0.0 110.899 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.486 ' H ' ' HG3' ' C' ' 39' ' ' LYS . 98.7 mt-10 -65.29 -40.73 94.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.091 0.472 . . . . 0.0 110.514 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.49 -39.53 84.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.375 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.5 -39.83 96.91 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -60.94 -40.36 92.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.0 0.428 . . . . 0.0 110.041 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 76.6 t -68.07 -40.56 83.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.534 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 23.4 mmt -60.98 -36.47 79.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.655 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -52.43 -36.66 54.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.393 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 8.7 mtt -63.59 -27.18 69.07 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.575 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 86.0 mt -85.67 3.08 42.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.468 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.21 3.98 86.82 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -98.97 127.07 44.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 110.542 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -136.96 60.4 28.75 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.323 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -71.72 160.34 48.36 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.932 2.421 . . . . 0.0 112.411 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.34 155.6 35.35 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.417 -179.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.28 -33.1 97.84 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.489 2.126 . . . . 0.0 112.058 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.93 -41.12 91.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.02 0.438 . . . . 0.0 110.377 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.73 -39.43 93.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.437 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.05 -41.23 97.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.575 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -65.58 -41.09 93.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.613 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -62.59 -42.25 99.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.238 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 93.0 mmm -63.54 -41.4 98.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.16 0.505 . . . . 0.0 110.603 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 7.7 mm -64.85 -42.51 95.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.952 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -57.71 -43.96 85.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.136 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -65.15 -42.24 93.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.939 0.399 . . . . 0.0 110.592 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . 0.531 HG11 ' SD ' ' C' ' 80' ' ' MET . 75.5 t -70.03 -39.74 77.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.809 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' C' ' 66' ' ' GLU . 52.2 t0 -51.29 143.22 11.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.428 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . 0.539 ' N ' ' OD1' ' C' ' 65' ' ' ASP . 22.3 mm-40 -89.77 -42.03 11.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.058 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 55.2 p30 -102.73 -0.69 31.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.012 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . 0.401 ' H ' ' CG ' ' C' ' 65' ' ' ASP . . . 66.33 24.0 71.96 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . 0.528 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 99.2 p -64.08 -19.85 65.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.837 0.351 . . . . 0.0 110.697 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.58 -8.82 78.33 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 76.3 p -131.7 163.8 27.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.453 0.168 . . . . 0.0 110.555 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . 0.47 HG12 ' HB2' ' C' ' 77' ' ' PHE . 16.5 t -110.61 111.48 36.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.0 0.429 . . . . 0.0 110.149 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -87.54 -178.48 6.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.596 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . 0.5 ' CE1' ' NZ ' ' C' ' 21' ' ' LYS . 47.7 t80 -58.61 -49.6 76.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.153 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -65.09 -48.54 73.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.97 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -63.62 -41.05 98.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.484 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . 0.47 ' HB2' HG12 ' C' ' 72' ' ' VAL . 19.5 t80 -60.04 -49.11 78.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.059 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.29 -46.14 91.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.999 0.428 . . . . 0.0 110.225 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 56.2 t -66.19 -40.47 87.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.397 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . 0.531 ' SD ' HG11 ' C' ' 64' ' ' VAL . 61.9 ttp -57.26 -48.19 79.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.122 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 27.6 ttt -62.2 -44.31 96.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.867 0.365 . . . . 0.0 110.354 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 64.8 t -63.67 -43.28 98.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.618 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.8 -47.54 85.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.701 -179.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 55.1 ttm -61.05 -44.98 96.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.351 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.85 -39.99 87.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.83 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.51 -42.81 97.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.264 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -65.94 -41.36 91.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.523 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 74.2 m -66.69 -42.5 86.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.815 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -63.66 -43.08 97.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.314 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 91' ' ' ASN . . . . . 0.521 ' CG ' ' H ' ' C' ' 92' ' ' LEU . 53.3 t30 -105.6 -158.93 0.68 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.289 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 92' ' ' LEU . . . . . 0.521 ' H ' ' CG ' ' C' ' 91' ' ' ASN . 0.4 OUTLIER 48.49 78.39 0.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.102 0.477 . . . . 0.0 110.471 179.631 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -58.2 -15.44 9.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.35 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -83.64 100.72 11.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.933 0.397 . . . . 0.0 110.383 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -70.67 -20.09 62.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.382 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.01 -46.53 94.39 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.351 -0.699 . . . . 0.0 111.351 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' C' ' 99' ' ' VAL . 45.5 mtp180 -84.43 -35.77 22.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.584 0.23 . . . . 0.0 110.802 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -41.35 96.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.392 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' C' ' 97' ' ' ARG . 10.9 t 45.91 64.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.534 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -58.33 -23.11 55.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.33 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 101' ' ' ILE . . . . . 0.507 HG23 ' O ' ' C' ' 101' ' ' ILE . 10.5 tt -129.16 124.3 60.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.06 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 67.9 m -65.24 149.35 50.1 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.501 0.667 . . . . 0.0 111.083 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.21 -36.04 78.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.299 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -58.56 -41.62 86.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.004 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.46 -40.46 97.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.218 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 78.7 mtp -62.85 -43.85 97.7 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.566 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 51.7 tpp -68.77 -32.59 72.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.328 0.585 . . . . 0.0 109.967 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . 0.632 ' O ' ' N ' ' C' ' 112' ' ' GLY . 37.9 tp60 -59.59 -50.33 74.29 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.858 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.61 -38.98 92.31 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.849 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.81 -37.43 67.54 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.709 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.18 -51.92 2.41 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.021 0.439 . . . . 0.0 111.361 -179.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 112' ' ' GLY . . . . . 0.632 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . 73.95 -55.42 2.22 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . 52.16 175.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.857 0.361 . . . . 0.0 110.9 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -138.59 162.18 35.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.363 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.63 135.85 54.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.277 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -138.17 -55.77 0.65 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.928 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -62.61 -39.65 94.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.425 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 74.2 m -62.41 -41.72 98.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.691 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.65 -41.08 98.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.817 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -104.14 87.82 2.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.251 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . 0.407 ' CG ' ' H ' ' C' ' 122' ' ' ARG . 3.4 tp -145.74 -144.17 0.15 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.457 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . 0.407 ' H ' ' CG ' ' C' ' 121' ' ' LEU . 5.5 tpt180 -117.4 136.26 53.3 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.722 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.1 -41.07 97.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.053 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -60.1 141.96 54.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.824 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 9.2 mp -70.16 127.16 31.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.266 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.448 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 61.72 37.44 15.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.496 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -146.43 -46.41 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.634 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -86.99 131.67 34.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.785 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -100.84 -4.76 27.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.492 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -94.69 152.17 18.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.511 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . 70.43 32.85 67.98 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . -55.83 147.66 29.06 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 87.7 mt -114.68 148.57 38.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.724 0.297 . . . . 0.0 110.451 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 17.9 t -115.62 95.36 43.26 Favored Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.808 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -75.19 172.66 15.92 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 122.753 2.302 . . . . 0.0 112.514 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 34.5 ttt-85 -57.71 -38.43 75.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.09 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . 109.68 158.05 17.4 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 58.0 m -157.51 -107.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.911 0.386 . . . . 0.0 110.442 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -41.27 95.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.428 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.85 -39.2 91.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.735 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -61.85 -43.3 99.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 85.2 mt -61.15 -45.51 98.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.231 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -63.63 -41.39 98.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.688 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -63.33 -42.31 98.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.72 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.73 -40.82 97.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.757 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.72 -42.19 98.62 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.949 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.445 ' O ' ' O ' ' C' ' 12' ' ' LEU . 56.4 t -64.16 -41.65 93.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.688 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -61.71 -40.25 94.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.979 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -85.11 -38.38 19.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.416 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.445 ' O ' ' O ' ' C' ' 9' ' ' VAL . 44.4 mt -114.8 142.25 46.79 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.983 0.42 . . . . 0.0 110.633 -179.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 63.0 p -80.12 167.03 20.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.406 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -60.05 -37.03 78.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.773 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -62.24 -42.56 99.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.54 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . 0.483 ' OE1' ' N ' ' C' ' 16' ' ' GLN . 0.0 OUTLIER -68.18 -39.62 82.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.669 179.669 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -59.05 -44.87 91.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.463 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -59.83 -44.86 93.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.45 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.65 -39.94 95.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.732 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -64.17 -40.4 96.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.037 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -61.01 -42.76 99.08 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.711 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.19 -39.69 86.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.768 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.16 -33.12 71.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.856 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . 0.771 ' O ' HG23 ' C' ' 28' ' ' VAL . 86.3 t80 -55.16 -38.46 68.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.4 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.79 -40.63 93.33 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.048 0.451 . . . . 0.0 110.822 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . 0.47 ' O ' HD23 ' C' ' 29' ' ' LEU . 93.4 mt -61.26 -44.72 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.251 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . 0.401 ' HB3' HD12 ' C' ' 36' ' ' ILE . 32.7 m-85 -68.82 -27.65 66.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.771 HG23 ' O ' ' C' ' 24' ' ' PHE . 77.9 t -70.84 -25.75 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.797 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . 0.676 ' C ' HD12 ' C' ' 29' ' ' LEU . 0.7 OUTLIER -61.14 143.52 55.34 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.142 0.496 . . . . 0.0 110.624 179.467 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . 0.483 ' N ' HD12 ' C' ' 29' ' ' LEU . . . 78.79 -0.94 75.65 Favored Glycine 0 CA--C 1.519 0.299 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.94 97.2 5.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.974 0.416 . . . . 0.0 110.561 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . 0.426 ' N ' ' CD ' ' C' ' 32' ' ' GLU . 1.0 OUTLIER -68.36 -25.3 65.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.587 179.546 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -65.03 -21.02 66.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.478 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.3 9.72 81.41 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 47.5 t -139.92 149.07 42.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.899 0.38 . . . . 0.0 110.331 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.577 HD13 ' N ' ' C' ' 36' ' ' ILE . 1.3 mm -63.57 113.3 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.051 -178.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 59.8 p -87.27 173.14 9.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.719 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 53.3 p -64.94 -35.28 80.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.517 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -63.69 -41.92 98.08 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.087 0.47 . . . . 0.0 110.559 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -61.49 -43.49 98.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.652 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.68 -38.67 82.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.412 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.49 -44.73 96.48 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -66.1 -40.25 90.59 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.299 0.571 . . . . 0.0 110.452 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.06 -41.77 94.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.361 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.4 mmt -60.57 -41.21 94.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.7 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -59.18 -41.42 88.44 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.328 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 25.3 mtm -62.77 -38.2 89.67 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.066 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.91 -8.49 44.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.597 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.2 5.83 72.3 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -118.35 154.01 33.07 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.942 0.401 . . . . 0.0 110.295 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -140.22 72.08 32.96 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -63.51 151.14 86.42 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 123.259 2.639 . . . . 0.0 111.955 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 60.7 p -64.2 151.01 91.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.898 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . 0.487 ' HA ' HD21 ' C' ' 57' ' ' LEU . 58.7 Cg_exo -49.52 -36.57 40.22 Favored 'Trans proline' 0 N--CA 1.5 1.895 0 C-N-CA 122.387 2.058 . . . . 0.0 112.3 179.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -69.85 -38.39 76.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.073 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -61.04 -50.73 72.13 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . 0.487 HD12 ' N ' ' C' ' 58' ' ' GLN . 2.8 pp -71.68 -40.07 69.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.08 0.467 . . . . 0.0 110.657 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . 0.487 ' N ' HD12 ' C' ' 57' ' ' LEU . 53.0 tt0 -61.35 -43.4 98.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.269 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -64.01 -41.53 97.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.541 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . 0.531 ' O ' HG22 ' C' ' 64' ' ' VAL . 2.4 ttt -59.63 -45.46 91.9 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.487 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.22 -40.59 89.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.268 0.556 . . . . 0.0 110.458 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -64.94 -42.36 94.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.911 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.86 -46.67 83.96 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.945 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . 0.531 HG22 ' O ' ' C' ' 60' ' ' MET . 33.9 m -74.3 -20.47 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.744 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.505 ' OD2' ' N ' ' C' ' 70' ' ' GLY . 6.2 t0 -43.37 124.76 3.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.887 0.375 . . . . 0.0 110.247 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -84.78 -51.4 6.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.163 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 59.6 p30 -94.59 -0.76 54.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.905 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.24 16.92 69.61 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 97.4 p -70.18 -16.87 63.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.849 0.357 . . . . 0.0 110.86 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . 0.505 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 92.98 -4.51 74.99 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 68.8 p -132.66 166.26 22.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.735 0.302 . . . . 0.0 110.593 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 12.7 m -113.8 115.92 51.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.328 0.585 . . . . 0.0 110.844 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -74.59 -173.55 1.82 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.415 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -58.99 -46.26 88.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.435 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -65.65 -41.05 93.02 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.489 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.41 -39.42 94.44 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.418 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -60.64 -48.83 80.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.92 0.39 . . . . 0.0 111.153 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 4.4 tp -59.41 -62.06 2.16 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.296 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 15.0 p -53.74 -34.02 24.04 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.392 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 49.6 mmm -63.01 -40.7 98.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.625 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -56.34 17.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.105 0.478 . . . . 0.0 111.317 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 28.1 m -61.64 -29.69 46.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.153 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 80.1 ttt-85 -60.83 -45.14 95.62 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.272 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.42 -38.64 91.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.708 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -61.95 -42.58 99.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.29 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.17 -40.65 90.69 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.279 0.562 . . . . 0.0 110.599 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -62.39 -40.84 97.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.044 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 89.2 p -66.82 -27.35 67.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.748 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -62.19 -48.32 80.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.144 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 91' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -80.9 -24.11 38.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 2.3 tp 62.12 165.41 0.1 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.531 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 93' ' ' TYR . . . . . 0.406 ' O ' ' C ' ' C' ' 94' ' ' PHE . 0.5 OUTLIER -54.89 -36.8 65.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.682 179.365 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 94' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' C' ' 93' ' ' TYR . 0.2 OUTLIER -39.0 -37.5 0.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.516 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -136.07 114.53 11.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.326 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -133.29 110.29 0.89 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -123.44 20.23 9.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.877 0.37 . . . . 0.0 110.715 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 98' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' C' ' 99' ' ' VAL . 0.7 OUTLIER -124.13 129.54 51.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.25 179.841 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' C' ' 98' ' ' ARG . 33.8 m 35.71 -155.82 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 123.523 0.514 . . . . 0.0 110.749 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -153.69 -12.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.458 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 27.5 mm -104.81 116.61 48.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.099 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 37.1 t -71.13 143.93 50.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.803 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.6 -38.47 91.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.748 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -57.63 -45.2 85.72 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.938 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.22 -40.24 95.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.832 0.349 . . . . 0.0 110.351 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 52.1 ttm -60.14 -46.18 90.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.015 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 11.0 ttm -60.09 -45.47 92.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -61.62 -45.01 95.88 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.695 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.55 -40.19 95.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.966 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.91 -48.88 79.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.664 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 2.0 tt -78.33 -32.83 49.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.821 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 112' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' C' ' 113' ' ' ALA . . . -59.74 -42.6 98.05 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -178.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' C' ' 112' ' ' GLY . . . 37.1 -114.44 0.11 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.751 0.31 . . . . 0.0 110.418 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -111.06 -2.43 15.89 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.71 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . 46.17 -170.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.392 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 116' ' ' LYS . . . . . 0.558 ' N ' ' CD ' ' C' ' 116' ' ' LYS . 0.0 OUTLIER -129.74 136.99 50.31 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.336 -179.671 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -138.3 17.86 2.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.548 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 66.8 m -83.88 -44.32 14.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.037 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 63.4 mt -113.79 -34.38 5.49 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 30.4 t0 58.91 51.05 7.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.512 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.62 168.22 3.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.615 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -64.08 149.05 48.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.237 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . 0.54 ' O ' ' ND1' ' C' ' 124' ' ' HIS . . . -72.24 167.47 20.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.471 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 124' ' ' HIS . . . . . 0.54 ' ND1' ' O ' ' C' ' 123' ' ' ALA . 56.8 p-80 41.94 -165.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.652 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.07 171.86 15.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.483 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.489 179.945 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 48.3 m80 49.21 -176.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.668 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -79.54 153.59 29.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.609 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -70.21 175.14 4.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.293 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' -9' ' ' HIS . . . . . 0.518 ' C ' ' H ' ' C' ' -7' ' ' GLY . 1.1 t-80 -78.32 -169.54 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.434 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 69.75 -37.28 0.37 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.574 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' -7' ' ' GLY . . . . . 0.518 ' H ' ' C ' ' C' ' -9' ' ' HIS . . . -62.26 -43.72 98.7 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.106 -0.797 . . . . 0.0 111.106 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . 86.46 160.75 34.83 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -98.52 93.03 5.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.841 0.353 . . . . 0.0 110.523 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' -4' ' ' VAL . . . . . 0.705 ' O ' HG13 ' C' ' -4' ' ' VAL . 14.5 p -135.16 67.53 68.79 Favored Pre-proline 0 C--O 1.233 0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.7 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -69.29 145.59 60.37 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.74 2.293 . . . . 0.0 111.746 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -76.92 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.601 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' -1' ' ' GLY . . . . . 0.408 ' O ' ' CB ' ' C' ' 0' ' ' SER . . . 60.57 -134.5 49.84 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 0' ' ' SER . . . . . 0.41 ' H ' ' H ' ' C' ' 1' ' ' MET . 0.2 OUTLIER 167.51 3.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.777 0.322 . . . . 0.0 110.509 -179.748 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.41 ' H ' ' H ' ' C' ' 0' ' ' SER . 35.2 mmt -62.32 -41.32 98.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.523 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.13 -39.57 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.949 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -60.9 -45.21 95.53 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.635 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.47 -44.5 98.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.483 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -59.9 -47.22 86.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.72 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -59.74 -40.98 89.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.026 0.441 . . . . 0.0 110.712 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.17 -39.29 89.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.657 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.66 -49.94 74.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.156 -178.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.24 -34.21 68.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -61.74 -39.57 92.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.478 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -86.5 -40.28 15.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.673 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt -80.03 150.29 30.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.635 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 68.7 p -102.46 170.41 8.07 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.601 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.47 -36.43 75.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.285 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -59.89 -40.13 87.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.58 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -62.95 -42.57 99.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.513 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 5.4 tptm -62.88 -42.43 99.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.485 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -60.03 -39.67 86.7 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.242 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . 0.544 ' N ' ' OE1' ' C' ' 19' ' ' GLU . 0.0 OUTLIER -59.66 -48.07 83.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.668 179.857 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -71.08 -27.05 63.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.578 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -60.07 -42.07 93.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.337 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.87 -43.2 94.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.613 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.15 -38.76 91.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.733 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -57.4 -39.65 76.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.541 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -60.66 -38.93 86.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.161 0.505 . . . . 0.0 110.396 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -72.28 -39.43 63.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.242 0.544 . . . . 0.0 110.81 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . 0.498 ' C ' ' H ' ' C' ' 29' ' ' LEU . 2.4 m-85 -56.5 -41.71 77.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.993 -178.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.416 HG11 ' O ' ' C' ' 34' ' ' GLY . 27.3 m -73.4 28.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . 0.649 HD12 ' O ' ' C' ' 29' ' ' LEU . 3.4 pp -51.76 128.78 24.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.394 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.38 -6.06 58.4 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -108.7 99.56 8.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.811 0.338 . . . . 0.0 110.54 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -70.91 -27.38 63.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.395 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -65.45 -26.83 68.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.522 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . 0.416 ' O ' HG11 ' C' ' 28' ' ' VAL . . . 95.15 6.32 60.23 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 56.0 m -96.76 148.97 22.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 110.499 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 89.8 mt -103.74 119.72 52.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . 0.423 ' OG ' ' OE1' ' C' ' 40' ' ' GLU . 83.1 p -83.3 167.28 17.76 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.547 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 81.1 p -64.04 -30.62 71.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.293 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.19 -42.27 99.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.442 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.423 ' OE1' ' OG ' ' C' ' 37' ' ' SER . 2.4 mp0 -63.8 -46.82 83.42 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.733 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . 0.42 HD21 ' CAL' ' C' ' 84' ' ' 4J4 . 6.5 mt -63.2 -38.67 92.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.833 179.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.26 -40.72 97.75 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.85 -41.05 97.88 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.73 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 80.5 t -62.63 -48.64 87.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.077 0.465 . . . . 0.0 110.455 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . 0.565 ' CE ' HD21 ' C' ' 57' ' ' LEU . 66.1 mtm -64.23 -40.12 95.39 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.057 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 11.8 mtm180 -53.67 -45.07 70.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.491 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 78.5 mtm -66.21 -32.72 74.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.348 178.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 8.0 tp -57.28 -21.98 38.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.392 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.89 9.99 41.35 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -107.15 173.7 6.21 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.268 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -113.76 96.65 41.73 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -78.03 154.46 29.39 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 C-N-CA 122.856 2.371 . . . . 0.0 112.077 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.22 124.9 21.59 Favored Pre-proline 0 N--CA 1.448 -0.564 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.305 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -49.95 -35.45 40.77 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.637 2.224 . . . . 0.0 111.895 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -67.66 -47.21 70.19 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.848 0.356 . . . . 0.0 110.644 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -68.66 -39.3 80.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.603 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . 0.565 HD21 ' CE ' ' C' ' 45' ' ' MET . 5.7 mt -59.58 -48.34 82.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? -63.74 -42.11 97.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.691 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -65.16 -44.19 89.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.412 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 16.6 tpt -63.73 -44.79 92.51 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.5 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 82.3 mt -62.94 -39.05 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.442 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -57.37 -44.47 84.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.407 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.18 -41.36 97.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.575 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 69.9 t -71.25 -38.81 71.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.348 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.429 ' OD2' ' N ' ' C' ' 70' ' ' GLY . 0.1 OUTLIER -38.71 105.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.101 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -89.0 -42.46 11.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.523 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.1 p30 -93.63 -1.06 55.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.831 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.73 19.55 69.43 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 96.6 p -67.03 -20.87 65.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.348 . . . . 0.0 110.626 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . 0.429 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 92.24 -5.59 78.18 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . 0.427 ' O ' ' OE1' ' C' ' 76' ' ' GLU . 80.7 p -131.61 165.54 23.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.751 0.31 . . . . 0.0 110.723 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 3.5 m -87.62 104.05 14.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.644 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.44 -173.52 3.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.525 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -59.82 -46.91 87.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.803 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 30.3 p-10 -69.89 -44.95 68.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.721 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.45 ' N ' ' OD1' ' C' ' 75' ' ' ASP . 98.6 mt-10 -63.02 -38.88 92.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.597 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -60.04 -45.55 92.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . 0.837 ' O ' HG23 ' C' ' 82' ' ' VAL . 6.7 tp -58.62 -43.15 89.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.555 -179.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.21 -42.46 90.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.746 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 24.4 tpp -58.32 -42.98 87.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.193 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 9.9 ttt -77.5 -28.77 52.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.828 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . 0.837 HG23 ' O ' ' C' ' 78' ' ' LEU . 51.6 t -60.12 -47.29 92.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.177 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . 0.416 ' HG2' ' H ' ' C' ' 83' ' ' ARG . 5.1 ptm85 -62.03 -35.49 78.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.03 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 84' ' ' 4J4 . . . . . 0.42 ' CAL' HD21 ' C' ' 41' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 78.5 mtm -63.17 -38.04 89.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.614 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -59.15 -46.86 87.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.294 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -67.74 -36.87 81.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.132 0.491 . . . . 0.0 110.354 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -59.91 -34.4 73.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.569 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . 0.542 ' O ' ' ND2' ' C' ' 91' ' ' ASN . 44.0 t -57.97 -44.79 87.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.463 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . 0.447 ' O ' ' OD1' ' C' ' 91' ' ' ASN . 76.2 mm-40 -67.44 -35.73 79.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.372 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 91' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' C' ' 89' ' ' SER . 7.5 p30 39.64 90.8 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.676 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 92' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.67 158.68 35.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.643 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -84.9 -168.21 2.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.551 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 56.84 -105.89 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.842 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 95' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -106.32 33.56 3.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.628 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.75 -105.22 0.3 Allowed Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . 0.444 ' CG ' ' H ' ' C' ' 98' ' ' ARG . 12.6 ttm180 -64.2 -132.08 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.745 0.307 . . . . 0.0 110.549 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 98' ' ' ARG . . . . . 0.444 ' H ' ' CG ' ' C' ' 97' ' ' ARG . 68.7 ttp85 59.22 83.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.762 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . 0.471 HG22 ' H ' ' C' ' 101' ' ' ILE . 13.7 p -117.32 143.89 26.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.38 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 92.2 mtm-85 -62.51 -41.28 98.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.523 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 101' ' ' ILE . . . . . 0.471 ' H ' HG22 ' C' ' 99' ' ' VAL . 77.3 mt -115.09 118.08 57.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.557 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 85.5 p -83.39 169.56 15.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.657 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.22 98.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.474 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -64.91 -42.18 94.95 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.512 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.29 -39.34 90.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.532 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 106' ' ' MET . . . . . 0.401 ' SD ' ' C ' ' C' ' 106' ' ' MET . 15.3 tmm? -60.97 -46.0 92.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.672 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 107' ' ' MET . . . . . . . . . . . . . 98.1 mtp -62.81 -41.51 99.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.761 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -63.06 -45.4 92.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.623 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.84 -40.01 91.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.746 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 6.7 tp -61.03 -44.83 96.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.461 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 111' ' ' LEU . . . . . . . . . . . . . 12.2 tp -64.71 -41.54 95.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.341 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.48 158.35 32.64 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -115.17 125.56 53.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.728 0.299 . . . . 0.0 110.501 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 55.99 -160.88 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.379 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.21 83.02 2.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.575 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 6.6 tptm -146.58 146.92 30.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.497 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' C' ' 120' ' ' ASP . 97.7 mt-10 -91.88 112.65 24.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.639 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 72.2 m -60.27 -37.79 81.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.441 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 7.2 mp -43.88 -35.28 1.91 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.533 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' C' ' 117' ' ' GLU . 0.2 OUTLIER -129.01 152.7 48.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.389 179.716 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . 0.574 ' N ' HD23 ' C' ' 121' ' ' LEU . 0.1 OUTLIER -123.07 -21.49 5.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.403 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -61.09 -42.92 99.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.798 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . 179.07 145.11 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.508 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 30.6 p80 -70.42 -23.48 62.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.696 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 4.2 tp 62.85 127.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.422 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 60.6 tttm . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.532 -179.881 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' -13' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' -12' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -64.65 141.06 58.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.318 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' -11' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -126.86 124.03 38.66 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.526 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' -10' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -82.49 155.94 24.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.391 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' -9' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -72.47 153.29 41.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.709 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' -8' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -146.89 144.17 29.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.523 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' -7' ' ' GLY . . . . . . . . . . . . . . . -91.44 -124.38 3.13 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' -6' ' ' GLY . . . . . . . . . . . . . . . 107.93 7.27 31.47 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' -5' ' ' LEU . . . . . . . . . . . . . 4.3 mp 58.05 98.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.758 0.313 . . . . 0.0 110.718 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' -4' ' ' VAL . . . . . . . . . . . . . 14.8 t -135.6 63.98 55.97 Favored Pre-proline 0 C--O 1.234 0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.549 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' -3' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -74.46 54.3 3.33 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.756 2.304 . . . . 0.0 111.964 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' -2' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -160.0 -13.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.555 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' -1' ' ' GLY . . . . . . . . . . . . . . . -68.42 151.51 51.76 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 13.3 t -110.27 -141.92 0.38 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.711 0.291 . . . . 0.0 110.407 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.53 ' HB2' HD12 ' C' ' 4' ' ' ILE . 21.2 ptp -111.23 57.2 0.63 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.294 0.569 . . . . 0.0 110.688 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -57.41 -35.15 69.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.498 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -58.19 -47.29 83.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.89 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . 0.53 HD12 ' HB2' ' C' ' 1' ' ' MET . 84.8 mt -62.51 -42.87 97.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.573 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -61.56 -41.12 96.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.864 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 46.5 mmtt -61.4 -41.82 97.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.118 0.485 . . . . 0.0 110.671 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.35 94.09 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.945 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.5 -52.0 67.49 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.289 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.72 -33.43 63.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.166 0.508 . . . . 0.0 110.326 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.16 -32.09 67.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -82.1 6.42 16.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.059 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.699 ' C ' HD12 ' C' ' 12' ' ' LEU . 4.3 pp -50.49 169.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.442 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 75.7 p -119.2 156.13 30.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.31 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.05 -39.54 92.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.488 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -61.3 -43.83 98.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.164 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -64.62 -41.02 96.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.598 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -61.11 -44.32 97.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.828 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -60.28 -44.12 95.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.63 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.52 -43.92 95.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.422 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -65.63 -37.0 85.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.556 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -60.33 -45.2 94.28 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.697 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.1 -45.66 87.65 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.41 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . 0.485 ' O ' HG13 ' C' ' 26' ' ' ILE . . . -65.29 -35.85 82.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.487 0.661 . . . . 0.0 110.036 179.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . 0.692 ' O ' HG23 ' C' ' 28' ' ' VAL . 60.0 t80 -70.02 -38.86 76.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.775 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -60.0 -51.2 70.66 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.973 0.416 . . . . 0.0 111.482 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . 0.485 HG13 ' O ' ' C' ' 23' ' ' ALA . 1.2 pt -64.82 -33.37 62.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.172 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -30.26 65.41 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 120.771 0.319 . . . . 0.0 110.73 179.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.692 HG23 ' O ' ' C' ' 24' ' ' PHE . 53.5 t -74.43 -25.82 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt -50.95 130.34 25.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.698 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.55 -10.59 64.87 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.01 135.94 33.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 110.66 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -80.21 -37.8 32.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -88.75 -7.42 56.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.83 4.57 90.28 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 41.5 m -112.28 155.85 23.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.821 0.344 . . . . 0.0 110.483 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 83.3 mt -62.5 123.07 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.349 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 25.4 m -124.68 179.52 4.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.692 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.7 p -64.89 -28.5 69.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.642 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -61.18 -50.58 72.56 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -66.9 -40.19 87.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.583 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . 0.567 HD22 ' CE ' ' C' ' 45' ' ' MET . 2.9 mt -63.71 -42.01 98.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.201 0.524 . . . . 0.0 110.641 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.93 -41.61 99.67 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -59.18 -50.69 73.06 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.568 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 6.3 p -67.27 -37.26 78.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.822 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . 0.567 ' CE ' HD22 ' C' ' 41' ' ' LEU . 49.5 mtt -61.03 -47.29 87.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.94 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 35.1 mtm180 -65.25 -38.49 90.51 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.747 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . 0.522 ' C ' ' H ' ' C' ' 49' ' ' GLY . 62.4 ttp -58.56 -37.9 76.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.51 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 22.9 mt -67.11 13.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . 0.522 ' H ' ' C ' ' C' ' 47' ' ' MET . . . 74.84 42.2 31.6 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -126.14 164.08 21.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.95 0.405 . . . . 0.0 110.523 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -141.23 61.74 14.62 Favored Pre-proline 0 C--N 1.326 -0.421 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.712 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.05 152.51 28.03 Favored 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.795 2.33 . . . . 0.0 112.311 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.77 155.62 75.54 Favored Pre-proline 0 C--N 1.324 -0.503 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -50.26 -43.45 43.35 Favored 'Trans proline' 0 N--CA 1.498 1.767 0 C-N-CA 122.14 1.893 . . . . 0.0 112.181 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -72.63 -33.94 66.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.076 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -58.85 -55.06 40.02 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.426 -178.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.56 -35.93 79.97 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.201 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -58.65 -40.3 83.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.995 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -70.97 -38.08 72.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.435 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 96.5 mtp -60.68 -46.05 91.83 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . 0.559 HD12 HD12 ' C' ' 41' ' ' LEU . 13.7 tt -68.12 -34.0 64.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.253 179.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -60.78 -47.85 84.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.621 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.14 -42.76 83.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.637 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' C' ' 65' ' ' ASP . 55.1 t -62.85 -38.74 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.551 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' C' ' 68' ' ' GLY . 11.0 t0 -34.92 146.04 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 O-C-N 123.595 0.559 . . . . 0.0 110.646 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . 0.647 ' OE2' HG11 ' C' ' 79' ' ' VAL . 17.5 tt0 -82.02 -51.22 8.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.488 -178.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 56.2 p30 -102.89 4.75 37.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.087 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' C' ' 65' ' ' ASP . . . 71.82 19.27 78.04 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 99.4 p -69.07 -16.43 63.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.714 0.293 . . . . 0.0 110.652 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . 0.425 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 83.42 1.32 90.27 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 11.6 m -139.37 140.4 37.45 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 96.3 t -104.6 123.31 58.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.532 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . 0.426 ' H ' ' HB3' ' C' ' 76' ' ' GLU . 87.5 m-20 -97.34 175.98 6.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.769 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -58.36 -49.93 75.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.605 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 36.5 p-10 -64.86 -42.46 94.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.584 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.494 ' N ' ' OD1' ' C' ' 75' ' ' ASP . 87.4 tt0 -64.87 -36.42 84.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.495 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -58.88 -47.78 83.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.379 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 6.9 mp -60.48 -47.26 86.92 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.741 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . 0.647 HG11 ' OE2' ' C' ' 66' ' ' GLU . 53.5 t -62.76 -44.67 99.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.088 0.47 . . . . 0.0 110.249 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . 0.415 ' C ' ' SD ' ' C' ' 80' ' ' MET . 18.5 tmm? -60.77 -42.87 98.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.642 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -60.99 2.59 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.692 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 27.0 m -60.58 -28.13 41.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.027 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' C' ' 87' ' ' ASP . 18.3 ttp180 -61.88 -40.46 95.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.453 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 84' ' ' 4J4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 32.2 mtm -67.24 -42.54 83.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.35 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -69.72 -19.36 63.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.106 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' C' ' 83' ' ' ARG . 0.0 OUTLIER -55.88 -29.01 59.29 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' C' ' 92' ' ' LEU . 95.6 m-20 -70.4 -40.09 74.11 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.989 0.424 . . . . 0.0 110.749 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 99.2 p -68.8 -26.03 64.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.004 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.14 -42.97 99.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.994 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 91' ' ' ASN . . . . . 0.444 ' O ' ' O ' ' C' ' 92' ' ' LEU . 16.9 p-10 -116.16 5.2 13.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.476 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 92' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' C' ' 88' ' ' ASP . 16.4 mt 46.99 -177.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.677 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 67.39 124.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.655 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 94' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -74.11 160.06 31.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.771 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 95' ' ' GLN . . . . . 0.403 ' NE2' ' OD1' ' C' ' 88' ' ' ASP . 11.6 pm0 -136.15 -166.11 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.704 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.2 157.26 4.79 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' C' ' 99' ' ' VAL . 7.6 tpt180 -50.38 -54.17 23.71 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.574 -178.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 98' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 65.34 -55.94 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' C' ' 97' ' ' ARG . 3.1 m -89.95 133.76 30.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.588 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 100' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -109.93 -16.05 13.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.647 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 101' ' ' ILE . . . . . . . . . . . . . 30.0 pt -122.06 148.94 25.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.684 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 75.7 m -92.66 160.08 15.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.573 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.66 90.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.66 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 104' ' ' ASP . . . . . 0.409 ' O ' ' HG3' ' C' ' 107' ' ' MET . 4.7 p-10 -62.91 -39.2 93.81 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 121.197 0.523 . . . . 0.0 110.31 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.54 -38.76 74.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.099 0.476 . . . . 0.0 110.839 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 106' ' ' MET . . . . . . . . . . . . . 28.6 ttt -60.99 -48.92 79.58 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.836 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 107' ' ' MET . . . . . 0.461 ' C ' ' SD ' ' C' ' 107' ' ' MET . 1.3 ppp? -66.55 -38.09 86.37 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.44 -179.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' C' ' 113' ' ' ALA . 90.2 mt-30 -64.63 -42.05 95.74 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.855 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.31 -42.43 99.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.754 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.8 -38.63 91.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.622 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 111' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' C' ' 111' ' ' LEU . 4.1 mm? -88.55 -0.81 57.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.101 0.476 . . . . 0.0 110.657 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 112' ' ' GLY . . . . . 0.428 ' O ' ' HB3' ' C' ' 113' ' ' ALA . . . 70.72 16.87 74.56 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' C' ' 108' ' ' GLN . . . 65.26 26.27 12.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.603 0.24 . . . . 0.0 110.467 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 114' ' ' ARG . . . . . . . . . . . . . 29.7 ttp85 -69.16 128.95 38.44 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.153 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -167.88 -142.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.899 0.38 . . . . 0.0 110.561 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 116' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -60.21 -39.87 88.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.045 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . 0.458 ' O ' ' OD1' ' C' ' 120' ' ' ASP . 97.9 mt-10 -57.8 -38.51 75.64 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -179.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 118' ' ' SER . . . . . . . . . . . . . 66.1 m -72.61 -42.06 64.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.869 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.56 -41.86 98.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.29 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . 0.458 ' OD1' ' O ' ' C' ' 117' ' ' GLU . 85.1 m-20 54.85 13.75 0.78 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.831 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 1.1 mp 43.9 38.96 2.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.503 0.668 . . . . 0.0 110.694 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 46.9 mmm-85 47.59 33.4 2.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.338 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -112.45 138.05 49.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.378 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 124' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -90.41 94.31 9.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.596 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 17.8 mt -118.07 109.84 16.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.785 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 126' ' ' LYS . . . . . . . . . . . . . 17.6 tttm . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.468 179.822 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_