data_1t12_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 1t12 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.065 -0.969 . . . . 0.62 108.502 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -155.33 142.68 19.47 Favored 'General case' 0 C--N 1.36 1.022 0 CA-C-N 120.325 1.42 . . . . 0.62 111.251 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.3 t -55.06 -35.83 64.95 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.399 1.454 . . . . 0.81999999999999995 112.302 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -48.55 -43.88 28.71 Favored Glycine 0 C--N 1.353 1.48 0 CA-C-N 119.51 1.05 . . . . 0.62 113.315 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -70.12 -42.9 72.0 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 108.065 -1.087 . . . . 0.68000000000000005 108.065 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 52.6 t -63.55 -48.72 85.59 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 C-N-CA 119.995 -0.682 . . . . 0.62 110.114 -175.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.3 t -63.06 -21.85 66.45 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 113.171 0.804 . . . . 0.62 113.171 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m -64.45 -49.51 71.16 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 119.503 1.047 . . . . 0.62 108.249 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -60.84 -30.34 70.05 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.582 -0.723 . . . . 0.68000000000000005 112.184 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 12' ' ' ALA . 59.7 mt -70.94 -4.71 26.01 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-O 115.735 -2.078 . . . . 0.62 112.899 178.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' LEU . . . -40.71 -49.5 7.32 Favored Pre-proline 0 C--N 1.356 0.851 0 CA-C-N 122.273 2.306 . . . . 0.62 112.857 -175.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -72.95 -30.42 11.06 Favored 'Trans proline' 0 C--N 1.36 1.145 0 CA-C-N 122.935 2.084 . . . . 0.53000000000000003 112.074 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.6 m -66.6 -50.63 62.42 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 108.21 -1.033 . . . . 0.81999999999999995 108.21 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.1 mt -42.39 -41.34 2.83 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 118.139 0.427 . . . . 0.62 110.303 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.36 -47.35 64.6 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 121.503 -0.748 . . . . 0.62 110.413 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -58.07 -39.22 77.98 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 121.756 -0.59 . . . . 0.62 112.398 175.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.5 mt -56.94 -36.08 69.83 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 118.814 -0.613 . . . . 0.62 110.486 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -81.61 11.25 4.87 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 118.008 -0.996 . . . . 0.76000000000000001 112.25 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.4 t30 49.56 49.26 20.25 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 120.969 1.713 . . . . 0.68000000000000005 110.853 -175.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 t -140.9 -51.18 0.45 Allowed 'General case' 0 C--N 1.356 0.858 0 CA-C-O 117.302 -1.333 . . . . 0.62 113.605 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.94 157.31 19.2 Favored Glycine 0 C--N 1.357 1.709 0 CA-C-N 121.316 1.871 . . . . 0.62 108.869 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -71.18 165.5 32.21 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 CA-C-N 120.54 2.17 . . . . 0.53000000000000003 112.632 -175.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.6 mp -62.15 -44.43 96.63 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.487 -0.768 . . . . 0.62 109.671 177.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 53.93 -119.96 13.21 Favored Glycine 0 C--N 1.35 1.351 0 CA-C-O 117.749 -1.584 . . . . 0.62 110.658 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -89.63 23.43 2.65 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.266 2.033 . . . . 0.76000000000000001 112.451 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.8 t -60.61 -46.88 88.62 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 121.349 1.886 . . . . 0.81999999999999995 108.799 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.0 m -60.73 -46.02 92.05 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 118.725 -1.19 . . . . 0.81999999999999995 110.376 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.69 -44.55 96.82 Favored Glycine 0 C--N 1.351 1.412 0 C-N-CA 119.486 -1.34 . . . . 0.62 111.238 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.48 -51.99 55.51 Favored Glycine 0 C--N 1.35 1.355 0 C-N-CA 119.508 -1.33 . . . . 0.62 110.059 178.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.71 -48.48 88.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 C-N-CA 119.516 -0.874 . . . . 0.62 109.144 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -42.15 -45.8 4.15 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 118.565 0.621 . . . . 0.62 110.953 175.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.47 81.79 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 119.568 -0.853 . . . . 0.62 109.257 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.6 mt -55.16 -46.98 75.76 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-O 118.075 -0.964 . . . . 0.62 109.359 -177.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.7 t -39.61 -49.02 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.687 0 CA-C-N 118.474 0.579 . . . . 0.62 110.162 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -61.68 -42.64 99.19 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 118.88 0.764 . . . . 0.68000000000000005 110.031 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.5 t -84.31 33.63 0.51 Allowed 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.821 -0.609 . . . . 0.62 110.535 169.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.13 33.16 1.1 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-N 119.302 0.956 . . . . 0.62 112.021 174.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.2 mmm-85 -129.58 -14.91 4.08 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 116.278 -1.82 . . . . 0.76000000000000001 115.395 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.85 47.31 0.62 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-N 122.978 2.627 . . . . 0.62 111.172 176.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 62.5 m 62.84 -62.3 0.12 Allowed 'General case' 0 C--N 1.357 0.916 0 N-CA-C 115.329 1.603 . . . . 0.62 115.329 174.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -84.52 -50.91 7.3 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 119.86 1.209 . . . . 0.70999999999999996 108.949 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -42.42 -49.04 5.27 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.746 1.157 . . . . 0.70999999999999996 109.897 173.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -49.27 -54.56 16.27 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 113.233 0.827 . . . . 0.76000000000000001 113.233 171.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -58.77 -42.92 90.11 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 119.643 -0.823 . . . . 0.68000000000000005 109.825 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.3 mm -58.25 -48.99 83.3 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 C-N-CA 119.27 -0.972 . . . . 0.62 109.795 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.96 -50.9 71.8 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 119.316 -0.954 . . . . 0.62 110.019 177.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 82.7 m -50.06 -54.55 19.62 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 120.252 1.387 . . . . 0.81999999999999995 110.35 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.4 t -62.61 -39.89 95.21 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 119.654 -0.819 . . . . 0.62 110.057 -175.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 41.3 t -62.22 -42.78 99.62 Favored 'General case' 0 CA--C 1.504 -0.805 0 C-N-CA 119.347 -0.941 . . . . 0.81999999999999995 110.374 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.9 mt -67.35 -50.29 60.49 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 119.22 -0.992 . . . . 0.62 109.062 -177.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -47.1 -46.38 22.79 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 109.059 -0.719 . . . . 0.62 109.059 175.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.0 m -63.21 -44.49 95.18 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 119.688 -0.805 . . . . 0.62 109.379 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.97 -53.84 50.51 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.895 0.771 . . . . 0.62 109.309 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.09 -52.13 53.3 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.999 -0.68 . . . . 0.62 109.902 177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.07 -32.57 59.85 Favored Glycine 0 C--N 1.353 1.484 0 C-N-CA 119.777 -1.202 . . . . 0.62 112.666 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.25 -37.79 84.1 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 119.144 1.472 . . . . 0.62 111.168 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.9 mm -63.56 139.46 21.26 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 118.718 0.69 . . . . 0.62 111.024 -175.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.8 p -74.79 -74.55 0.19 Allowed 'General case' 0 C--N 1.36 1.03 0 CA-C-N 119.149 0.886 . . . . 0.62 111.759 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.24 51.95 3.98 Favored Glycine 0 C--N 1.353 1.493 0 CA-C-N 119.828 1.195 . . . . 0.62 111.914 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.29 131.85 33.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.625 0 CA-C-O 118.059 -0.972 . . . . 0.62 112.391 -171.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -93.63 109.16 20.8 Favored 'General case' 0 C--N 1.358 0.948 0 N-CA-C 107.73 -1.211 . . . . 0.68000000000000005 107.73 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.33 -42.36 99.32 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 119.011 0.823 . . . . 0.62 110.365 -173.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.42 -44.9 96.28 Favored Glycine 0 C--N 1.351 1.387 0 C-N-CA 119.783 -1.198 . . . . 0.62 111.816 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 69' ' ' LEU . 65.3 mttm -68.48 -39.92 81.16 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 119.31 1.555 . . . . 0.62 109.547 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.38 -56.62 18.06 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 119.31 0.959 . . . . 0.62 109.735 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.32 -34.8 75.85 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.997 -1.064 . . . . 0.62 110.63 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -89.04 -0.9 80.3 Favored Glycine 0 C--N 1.356 1.693 0 CA-C-O 118.257 -1.301 . . . . 0.62 114.566 177.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' LYS . 10.4 tp -48.95 -54.88 23.84 Favored Pre-proline 0 C--N 1.352 0.704 0 CA-C-N 120.774 2.287 . . . . 0.62 111.9 174.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.02 -29.46 57.06 Favored 'Trans proline' 0 C--N 1.358 1.067 0 CA-C-N 123.934 2.441 . . . . 0.53000000000000003 109.041 -175.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.3 t -65.19 -39.65 93.13 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.648 1.113 . . . . 0.62 108.684 176.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 50.4 m -69.4 -49.85 51.45 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 108.42 -0.956 . . . . 0.62 108.42 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 74' ' ' GLY . 97.5 m -90.54 70.19 6.84 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-O 116.746 -1.597 . . . . 0.81999999999999995 107.822 172.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 73' ' ' CYS . . . -29.01 110.45 0.03 OUTLIER Glycine 0 C--N 1.349 1.258 0 CA-C-N 120.587 1.54 . . . . 0.62 114.64 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -143.25 152.7 16.7 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 CA-C-N 119.527 1.663 . . . . 0.62 109.625 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -89.22 63.46 6.55 Favored 'General case' 0 C--N 1.36 1.055 0 CA-C-O 117.87 -1.062 . . . . 0.68000000000000005 111.404 -175.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.455 ' HB ' ' CE2' ' A' ' 79' ' ' TYR . 22.2 pt -102.67 126.77 31.87 Favored Pre-proline 0 C--N 1.352 0.703 0 CA-C-O 116.727 -1.606 . . . . 0.62 109.118 175.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -87.99 58.99 3.03 Favored 'Trans proline' 0 C--N 1.359 1.081 0 CA-C-N 123.562 2.308 . . . . 0.53000000000000003 111.219 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.455 ' CE2' ' HB ' ' A' ' 77' ' ' ILE . 51.2 p90 -169.07 151.91 4.93 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 117.354 -1.307 . . . . 0.62 107.588 172.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -95.35 148.81 22.04 Favored 'General case' 0 C--N 1.35 0.619 0 N-CA-C 107.537 -1.282 . . . . 0.62 107.537 -175.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 27.0 mt -90.45 83.84 2.15 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 N-CA-C 107.113 -1.44 . . . . 0.62 107.113 -171.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.3 p -150.4 144.84 17.83 Favored Pre-proline 0 C--N 1.357 0.896 0 CA-C-O 116.916 -1.516 . . . . 0.62 111.808 -174.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -80.13 71.37 7.09 Favored 'Trans proline' 0 C--N 1.358 1.056 0 CA-C-N 122.091 1.783 . . . . 0.53000000000000003 110.593 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.1 m -159.28 -58.65 0.07 Allowed 'General case' 0 C--N 1.353 0.718 0 N-CA-C 109.191 -0.67 . . . . 0.62 109.191 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.5 t -52.37 136.4 31.35 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 118.582 -0.723 . . . . 0.62 111.712 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -82.07 147.2 29.24 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 107.16 -1.422 . . . . 0.70999999999999996 107.16 171.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 C--N 1.354 0.802 0 CA-C-O 116.974 -1.489 . . . . 0.81999999999999995 113.516 170.394 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.511 -0.547 0 N-CA-C 109.131 -0.692 . . . . 0.62 109.131 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 m -162.83 141.99 8.84 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 119.621 1.1 . . . . 0.62 111.095 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 59.2 m -57.02 -31.58 65.28 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 121.591 1.996 . . . . 0.81999999999999995 113.767 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.99 -48.73 61.69 Favored Glycine 0 C--N 1.347 1.155 0 CA-C-N 120.536 1.516 . . . . 0.62 112.363 177.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.37 -29.96 71.02 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 118.532 1.166 . . . . 0.68000000000000005 110.415 -178.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.8 t -70.27 -50.1 49.29 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 108.791 -0.818 . . . . 0.62 108.791 178.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.8 m -59.5 -45.28 92.14 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 119.925 -0.71 . . . . 0.62 110.753 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.4 p -62.85 -46.43 87.95 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 119.737 -0.785 . . . . 0.62 109.572 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -56.11 -41.77 75.8 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 119.346 -0.941 . . . . 0.68000000000000005 111.062 176.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.5 mp -89.39 25.2 2.0 Allowed 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.362 -0.828 . . . . 0.62 112.629 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.46 -53.05 68.38 Favored Pre-proline 0 C--N 1.356 0.883 0 CA-C-O 116.688 -1.625 . . . . 0.62 111.492 -178.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -70.15 -29.63 21.74 Favored 'Trans proline' 0 C--N 1.358 1.061 0 CA-C-N 123.626 2.331 . . . . 0.53000000000000003 110.956 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.0 m -61.54 -29.15 69.82 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 117.928 -1.034 . . . . 0.81999999999999995 109.444 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -54.43 -40.25 68.13 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 120.954 1.706 . . . . 0.62 111.285 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.57 -33.13 60.6 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 119.925 -0.71 . . . . 0.62 110.804 177.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -65.66 -35.54 81.06 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 120.531 -0.467 . . . . 0.62 110.65 174.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.9 mt -57.94 -38.62 76.3 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-N 118.889 0.768 . . . . 0.62 111.039 176.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -68.28 -1.99 7.37 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-O 118.241 -0.885 . . . . 0.76000000000000001 113.377 172.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 61.0 t30 53.41 44.77 29.56 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 121.081 1.764 . . . . 0.68000000000000005 110.718 -176.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 t -140.78 -47.51 0.41 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-O 117.402 -1.285 . . . . 0.62 112.646 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.08 154.21 19.49 Favored Glycine 0 C--N 1.36 1.879 0 CA-C-N 121.415 1.916 . . . . 0.62 110.299 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -75.38 142.34 26.63 Favored 'Trans proline' 0 C--N 1.356 0.95 0 CA-C-N 121.329 2.565 . . . . 0.53000000000000003 113.426 -177.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -69.56 -30.53 68.36 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 113.051 0.76 . . . . 0.62 113.051 172.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.47 -120.73 21.37 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-O 118.116 -1.38 . . . . 0.62 112.14 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -95.32 20.27 9.56 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-N 120.025 1.913 . . . . 0.76000000000000001 111.096 -175.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.4 t -53.76 -32.95 54.2 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.925 1.239 . . . . 0.81999999999999995 111.168 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 71.7 m -49.62 -38.88 33.81 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.076 -0.964 . . . . 0.81999999999999995 110.637 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.3 -44.54 89.47 Favored Glycine 0 C--N 1.351 1.371 0 C-N-CA 119.172 -1.49 . . . . 0.62 110.791 176.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.11 -43.85 96.62 Favored Glycine 0 C--N 1.35 1.35 0 C-N-CA 119.61 -1.281 . . . . 0.62 111.363 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.54 -52.07 64.05 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 106.574 -1.639 . . . . 0.62 106.574 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -52.25 -43.3 64.28 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 119.149 -0.453 . . . . 0.62 110.701 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.55 -46.51 77.14 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 120.084 -0.647 . . . . 0.62 109.736 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' SER . 91.3 mt -60.01 -41.33 91.92 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 118.625 -0.702 . . . . 0.62 110.09 -177.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.3 t -46.98 -44.92 7.78 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.698 0 CA-C-N 118.646 0.657 . . . . 0.62 110.452 -175.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -53.13 -42.23 65.83 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 119.943 -0.703 . . . . 0.68000000000000005 109.399 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' LEU . 5.1 m -105.15 50.18 0.79 Allowed 'General case' 0 C--N 1.353 0.737 0 O-C-N 123.542 0.526 . . . . 0.62 110.391 172.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.92 38.82 0.6 Allowed 'General case' 0 C--N 1.353 0.74 0 C-N-CA 121.187 -0.205 . . . . 0.62 111.205 170.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.0 mmm-85 -139.38 9.37 2.48 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 114.892 1.441 . . . . 0.76000000000000001 114.892 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.8 m -107.58 45.31 1.01 Allowed 'General case' 0 C--N 1.356 0.889 0 CA-C-N 120.972 1.715 . . . . 0.62 108.206 177.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.6 m 66.8 -68.34 0.14 Allowed 'General case' 0 C--N 1.353 0.748 0 N-CA-C 113.485 0.92 . . . . 0.62 113.485 176.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -69.56 -55.65 9.53 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 120.088 1.313 . . . . 0.70999999999999996 108.853 -174.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -54.0 -42.08 68.67 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 119.799 -0.76 . . . . 0.70999999999999996 111.402 177.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.5 ttp85 -54.51 -48.82 71.44 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 118.184 -1.406 . . . . 0.76000000000000001 111.899 172.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -60.61 -47.66 85.25 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 120.053 -0.659 . . . . 0.68000000000000005 112.349 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.7 mm -58.49 -45.71 89.98 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 N-CA-C 108.262 -1.014 . . . . 0.62 108.262 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.87 -50.02 70.47 Favored 'General case' 0 CA--C 1.509 -0.6 0 C-N-CA 118.903 -1.119 . . . . 0.62 109.663 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.6 t -48.52 -47.75 38.81 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 118.732 0.696 . . . . 0.81999999999999995 111.329 174.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.3 m -68.39 -48.53 64.45 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 108.639 -0.874 . . . . 0.62 108.639 -173.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 98.0 m -59.52 -43.52 93.4 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 120.436 -0.505 . . . . 0.81999999999999995 111.049 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.7 mt -63.14 -49.51 74.08 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 119.518 -0.873 . . . . 0.62 108.723 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -48.57 -47.15 39.75 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 109.496 -0.557 . . . . 0.62 109.496 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.1 p -72.58 -36.15 68.09 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-O 117.329 -1.32 . . . . 0.62 112.198 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.55 -51.12 63.91 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 121.346 1.885 . . . . 0.62 109.777 175.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.01 -40.01 65.55 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 119.476 -0.89 . . . . 0.62 109.744 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.7 75.07 1.7 Allowed Glycine 0 C--N 1.355 1.613 0 CA-C-O 118.532 -1.149 . . . . 0.62 110.408 -178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 179.8 -49.52 0.01 OUTLIER 'General case' 0 C--N 1.352 0.681 0 CA-C-N 117.687 0.743 . . . . 0.62 110.674 -174.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.6 mt -53.54 141.24 8.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 CA-C-O 117.661 -1.161 . . . . 0.62 108.607 178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.8 t -72.35 -53.28 12.8 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-N 120.994 1.725 . . . . 0.62 112.405 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.66 33.52 3.92 Favored Glycine 0 C--N 1.354 1.546 0 O-C-N 120.934 -1.104 . . . . 0.62 114.488 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.62 132.25 30.44 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.654 0 CA-C-N 120.28 2.04 . . . . 0.62 111.194 -179.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -97.61 107.94 20.55 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 119.998 1.272 . . . . 0.68000000000000005 109.149 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.4 tp -47.65 -45.97 28.47 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 112.64 0.607 . . . . 0.62 112.64 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.01 -35.48 64.24 Favored Glycine 0 C--N 1.351 1.382 0 C-N-CA 119.69 -1.243 . . . . 0.62 112.247 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -69.46 -50.75 42.51 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.162 1.481 . . . . 0.62 108.611 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.79 -55.05 12.67 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 119.647 -0.821 . . . . 0.62 109.916 176.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.6 -31.91 69.92 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 117.791 -1.1 . . . . 0.62 112.883 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -86.59 7.23 80.23 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-O 117.597 -1.668 . . . . 0.62 115.083 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.06 -41.6 45.68 Favored Pre-proline 0 C--N 1.353 0.723 0 CA-C-N 122.335 3.068 . . . . 0.62 112.632 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -61.82 -31.76 85.46 Favored 'Trans proline' 0 C--N 1.361 1.185 0 CA-C-N 124.997 2.82 . . . . 0.53000000000000003 108.863 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.4 t -64.82 -51.85 59.94 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 119.065 -1.054 . . . . 0.62 109.007 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.6 m -64.83 -38.14 89.97 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 119.886 -0.725 . . . . 0.62 111.119 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 75' ' ' VAL . 69.9 m -108.78 80.42 1.33 Allowed 'General case' 0 C--N 1.349 0.556 0 N-CA-C 108.471 -0.937 . . . . 0.81999999999999995 108.471 172.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.34 77.49 0.01 OUTLIER Glycine 0 C--N 1.355 1.616 0 CA-C-O 119.299 -0.723 . . . . 0.62 112.276 177.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' CYS . 21.9 m -105.42 -159.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 107.337 -1.357 . . . . 0.62 107.337 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -112.35 67.1 0.65 Allowed 'General case' 0 C--N 1.356 0.885 0 CA-C-N 121.062 1.756 . . . . 0.68000000000000005 110.68 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.4 pt -112.08 132.02 22.23 Favored Pre-proline 0 C--N 1.358 0.961 0 CA-C-O 116.547 -1.692 . . . . 0.62 109.267 176.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -77.38 -36.38 1.32 Allowed 'Trans proline' 0 C--N 1.362 1.254 0 CA-C-N 122.945 2.087 . . . . 0.53000000000000003 111.666 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -71.87 158.23 36.44 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 108.685 -0.857 . . . . 0.62 108.685 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -106.06 34.22 3.44 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 120.649 -0.42 . . . . 0.62 110.72 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.5 mt 47.14 40.35 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.627 0 CA-C-O 118.833 -0.603 . . . . 0.62 111.861 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.8 m -98.25 141.2 22.56 Favored Pre-proline 0 C--N 1.35 0.591 0 CA-C-O 116.236 -1.84 . . . . 0.62 111.025 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -72.22 67.68 3.41 Favored 'Trans proline' 0 C--N 1.363 1.296 0 CA-C-N 122.8 2.036 . . . . 0.53000000000000003 111.161 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -165.42 -53.43 0.03 OUTLIER 'General case' 0 C--N 1.352 0.685 0 CA-C-O 119.296 -0.383 . . . . 0.62 110.208 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.5 t -37.52 105.36 0.04 OUTLIER 'General case' 0 C--N 1.354 0.793 0 N-CA-C 114.416 1.265 . . . . 0.62 114.416 176.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -63.49 144.89 56.61 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 120.757 1.617 . . . . 0.70999999999999996 110.268 175.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 C--N 1.358 0.977 0 CA-C-N 119.357 0.981 . . . . 0.81999999999999995 112.492 174.131 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 pp . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 113.796 1.036 . . . . 0.62 113.796 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -100.34 167.37 10.45 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 118.043 0.383 . . . . 0.62 111.027 -176.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.9 m -59.77 -38.4 81.74 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 112.668 0.618 . . . . 0.81999999999999995 112.668 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -49.47 -47.39 36.11 Favored Glycine 0 C--N 1.35 1.337 0 C-N-CA 119.572 -1.299 . . . . 0.62 112.817 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -64.09 -43.46 95.33 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 117.981 0.891 . . . . 0.68000000000000005 109.803 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.1 t -57.83 -57.61 9.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 107.095 -1.446 . . . . 0.62 107.095 -175.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.4 m -58.13 -47.02 84.59 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 123.688 0.617 . . . . 0.62 110.791 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.8 m -58.47 -50.9 72.07 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 120.082 -0.647 . . . . 0.62 109.607 -174.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -52.06 -45.61 64.81 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 119.649 -0.82 . . . . 0.68000000000000005 111.594 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.319 4.3 pp -94.31 28.53 2.5 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 112.677 0.621 . . . . 0.62 112.677 -177.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.52 -47.13 98.66 Favored Pre-proline 0 C--N 1.353 0.735 0 CA-C-O 116.422 -1.751 . . . . 0.62 112.384 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -66.13 -28.01 48.89 Favored 'Trans proline' 0 C--N 1.359 1.126 0 CA-C-N 123.932 2.44 . . . . 0.53000000000000003 110.417 -177.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.6 m -60.56 -35.02 75.05 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 118.879 -1.129 . . . . 0.81999999999999995 109.766 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.9 mt -53.87 -48.53 69.94 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 120.515 1.507 . . . . 0.62 107.87 -177.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.78 84.63 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 120.631 -0.428 . . . . 0.62 110.818 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -60.67 -40.48 92.26 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.966 -1.016 . . . . 0.62 111.679 174.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.8 mt -66.05 -40.99 91.4 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.6 1.545 . . . . 0.62 110.432 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -56.62 -26.12 55.0 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 117.942 -1.028 . . . . 0.76000000000000001 110.956 173.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 83.31 59.15 0.01 OUTLIER 'General case' 0 C--N 1.355 0.841 0 CA-C-N 119.727 1.149 . . . . 0.68000000000000005 108.512 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.1 p -148.34 -67.9 0.23 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 109.718 -0.475 . . . . 0.62 109.718 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -91.22 142.09 15.96 Favored Glycine 0 C--N 1.355 1.625 0 CA-C-O 116.397 -2.335 . . . . 0.62 110.069 -176.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -71.74 -168.57 0.37 Allowed 'Trans proline' 0 C--N 1.356 0.94 0 CA-C-N 122.635 3.217 . . . . 0.53000000000000003 112.837 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.86 -36.88 70.26 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.599 -0.889 . . . . 0.62 108.599 -178.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.92 -124.93 37.27 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-O 117.61 -1.661 . . . . 0.62 110.13 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -99.05 25.49 6.7 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 119.68 1.74 . . . . 0.76000000000000001 110.39 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.5 t -60.59 -48.15 83.04 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-N 119.643 1.11 . . . . 0.81999999999999995 108.94 176.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.1 m -51.37 -41.6 60.77 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.895 -1.05 . . . . 0.81999999999999995 112.877 -175.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.49 -51.87 56.21 Favored Glycine 0 C--N 1.351 1.412 0 C-N-CA 119.103 -1.522 . . . . 0.62 110.07 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.87 -39.77 95.91 Favored Glycine 0 C--N 1.352 1.457 0 C-N-CA 119.885 -1.15 . . . . 0.62 111.88 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.55 -60.07 3.33 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 N-CA-C 105.902 -1.888 . . . . 0.62 105.902 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -46.36 -38.62 9.1 Favored 'General case' 0 C--O 1.224 -0.289 0 O-C-N 119.854 -1.779 . . . . 0.62 111.549 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.71 -48.94 70.29 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.439 1.018 . . . . 0.62 112.222 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 pp -60.6 -31.69 70.85 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 120.634 1.561 . . . . 0.62 108.906 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.23 -44.98 96.68 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 CA-C-N 119.395 0.998 . . . . 0.62 111.099 -175.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -53.86 -45.31 70.95 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 108.266 -1.012 . . . . 0.68000000000000005 108.266 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.9 m -89.52 59.64 4.84 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 108.856 -0.794 . . . . 0.62 108.856 172.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.93 -57.4 0.1 Allowed 'General case' 0 C--N 1.349 0.572 0 N-CA-C 106.729 -1.582 . . . . 0.62 106.729 177.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.6 mmm-85 -66.94 66.69 0.06 Allowed 'General case' 0 C--N 1.355 0.818 0 CA-C-N 119.192 0.905 . . . . 0.76000000000000001 112.984 177.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.9 m -140.32 40.99 1.92 Allowed 'General case' 0 C--N 1.351 0.662 0 N-CA-C 106.391 -1.707 . . . . 0.62 106.391 169.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.2 m 62.99 -66.26 0.09 Allowed 'General case' 0 C--N 1.355 0.844 0 N-CA-C 113.746 1.017 . . . . 0.62 113.746 -175.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -78.18 -49.77 13.19 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 119.691 1.132 . . . . 0.70999999999999996 110.238 -171.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -52.12 -50.55 61.46 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 119.396 -0.922 . . . . 0.70999999999999996 109.888 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . 0.273 0.0 OUTLIER -61.13 -33.86 74.07 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 118.161 -0.923 . . . . 0.76000000000000001 111.876 176.387 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -61.62 -42.66 99.19 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 121.455 1.934 . . . . 0.68000000000000005 109.033 177.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.5 mm -71.37 -46.08 66.31 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 N-CA-C 108.199 -1.037 . . . . 0.62 108.199 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.18 -52.06 47.82 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 119.059 0.845 . . . . 0.62 109.144 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.1 t -47.71 -47.94 29.76 Favored 'General case' 0 C--N 1.346 0.452 0 N-CA-C 112.85 0.685 . . . . 0.81999999999999995 112.85 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.9 m -69.16 -47.38 65.13 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 108.392 -0.966 . . . . 0.62 108.392 -177.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.6 m -52.6 -41.5 63.71 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 119.836 -0.745 . . . . 0.81999999999999995 110.62 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.85 -46.67 71.12 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 120.257 -0.577 . . . . 0.62 109.954 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -51.8 -42.98 62.89 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 119.22 -0.992 . . . . 0.62 108.534 175.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.3 m -65.75 -45.16 83.6 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 118.8 -0.619 . . . . 0.62 111.497 176.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.64 -46.01 91.91 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.358 0.981 . . . . 0.62 109.754 -177.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.41 -44.83 77.85 Favored 'General case' 0 C--N 1.351 0.674 0 N-CA-C 109.045 -0.724 . . . . 0.62 109.045 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.24 69.13 1.98 Allowed Glycine 0 C--N 1.353 1.486 0 N-CA-C 110.006 -1.238 . . . . 0.62 110.006 175.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -172.52 -53.85 0.02 OUTLIER 'General case' 0 C--N 1.354 0.783 0 CA-C-N 117.94 0.87 . . . . 0.62 110.596 -178.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.3 mm -47.34 126.4 2.33 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-O 117.969 -1.015 . . . . 0.62 109.004 177.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.7 t -70.5 -44.51 67.48 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 121.07 1.759 . . . . 0.62 114.327 -175.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -102.92 53.56 0.75 Allowed Glycine 0 C--N 1.352 1.453 0 N-CA-C 107.477 -2.249 . . . . 0.62 107.477 -174.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.3 tt -77.08 143.28 13.13 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 CA-C-O 117.741 -1.123 . . . . 0.62 112.264 -170.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -100.37 116.09 31.52 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 107.717 -1.216 . . . . 0.68000000000000005 107.717 172.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.3 tp -57.1 -47.13 81.82 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 118.983 0.81 . . . . 0.62 111.671 -175.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.08 -39.2 94.06 Favored Glycine 0 C--N 1.353 1.491 0 C-N-CA 119.577 -1.297 . . . . 0.62 111.323 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -69.23 -43.31 74.3 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.379 1.589 . . . . 0.62 109.522 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.51 -56.07 13.23 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 119.772 1.169 . . . . 0.62 109.157 173.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.93 -7.63 55.03 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 114.945 1.461 . . . . 0.62 114.945 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.59 -3.32 71.64 Favored Glycine 0 C--N 1.353 1.487 0 CA-C-O 117.462 -1.744 . . . . 0.62 113.423 173.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 96.6 mt -60.02 -42.45 90.33 Favored Pre-proline 0 C--N 1.354 0.764 0 CA-C-N 121.656 2.728 . . . . 0.62 113.26 179.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 38.1 Cg_exo -57.59 -49.68 12.78 Favored 'Trans proline' 0 C--N 1.357 0.992 0 CA-C-N 123.636 2.334 . . . . 0.53000000000000003 110.24 178.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.1 m -64.86 -43.69 92.14 Favored 'General case' 0 CA--C 1.506 -0.746 0 O-C-N 123.899 0.749 . . . . 0.62 109.679 -175.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.0 m -62.35 -52.22 64.49 Favored 'General case' 0 C--N 1.349 0.578 0 N-CA-C 108.339 -0.986 . . . . 0.62 108.339 -176.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 80.7 m -98.83 69.67 1.82 Allowed 'General case' 0 C--N 1.353 0.745 0 N-CA-C 106.536 -1.653 . . . . 0.81999999999999995 106.536 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -27.06 101.31 0.01 OUTLIER Glycine 0 C--N 1.352 1.469 0 CA-C-O 117.637 -1.646 . . . . 0.62 115.542 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.9 m -139.69 154.85 24.58 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 CA-C-N 119.778 1.789 . . . . 0.62 110.388 177.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -88.71 65.33 7.68 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.296 0.953 . . . . 0.68000000000000005 111.36 -173.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 16.1 pt -101.55 134.4 20.26 Favored Pre-proline 0 C--N 1.355 0.824 0 CA-C-O 115.316 -2.278 . . . . 0.62 110.693 -177.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -66.8 -49.52 1.51 Allowed 'Trans proline' 0 C--N 1.363 1.314 0 CA-C-N 125.054 2.841 . . . . 0.53000000000000003 110.584 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -63.61 153.99 34.18 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.116 -1.421 . . . . 0.62 109.833 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -107.52 27.64 8.93 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.833 1.197 . . . . 0.62 110.809 173.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 mt 52.09 42.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.474 0 CA-C-N 120.297 1.408 . . . . 0.62 110.234 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.8 t -105.52 139.06 19.8 Favored Pre-proline 0 C--N 1.354 0.802 0 CA-C-O 115.274 -2.298 . . . . 0.62 108.448 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.6 70.95 1.98 Allowed 'Trans proline' 0 C--N 1.355 0.876 0 CA-C-N 124.492 2.64 . . . . 0.53000000000000003 110.998 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.2 m -170.76 -53.71 0.02 OUTLIER 'General case' 0 C--N 1.355 0.833 0 CA-C-O 118.779 -0.629 . . . . 0.62 110.472 -175.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.0 t -37.19 116.8 0.48 Allowed 'General case' 0 C--N 1.356 0.863 0 CA-C-O 118.267 -0.873 . . . . 0.62 111.621 178.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -90.2 146.36 24.32 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 120.783 1.629 . . . . 0.70999999999999996 107.461 172.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 57.1 m . . . . . 0 C--N 1.353 0.741 0 CA-C-N 118.718 0.69 . . . . 0.81999999999999995 110.759 171.264 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.2 mm . . . . . 0 N--CA 1.468 0.464 0 N-CA-C 105.687 -1.968 . . . . 0.62 105.687 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.2 p -112.33 149.63 32.16 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 121.951 2.159 . . . . 0.62 112.776 178.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.1 t -65.06 -28.48 69.5 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-O 117.338 -1.315 . . . . 0.81999999999999995 112.221 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.47 -46.04 88.4 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-N 120.504 1.502 . . . . 0.62 111.829 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -61.89 -45.69 92.64 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 117.922 0.861 . . . . 0.68000000000000005 109.395 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.7 t -59.53 -49.56 83.18 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 N-CA-C 106.304 -1.739 . . . . 0.62 106.304 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.0 m -51.1 -46.52 61.86 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 121.748 -0.595 . . . . 0.62 109.855 -176.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.7 m -54.19 -43.62 70.87 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 120.271 -0.571 . . . . 0.62 111.741 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -58.42 -33.74 70.01 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 119.127 0.876 . . . . 0.68000000000000005 112.55 177.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -77.78 -1.02 29.35 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 115.488 -2.196 . . . . 0.62 110.46 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.37 -54.78 5.87 Favored Pre-proline 0 C--N 1.359 0.98 0 CA-C-N 122.509 2.413 . . . . 0.62 112.888 -174.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.08 -22.78 18.98 Favored 'Trans proline' 0 C--N 1.362 1.252 0 CA-C-N 122.011 1.754 . . . . 0.53000000000000003 111.901 -178.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.0 m -73.67 -40.16 63.89 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.962 -1.018 . . . . 0.81999999999999995 108.404 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.1 mt -42.89 -44.02 4.35 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.486 1.039 . . . . 0.62 109.961 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.72 98.32 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 121.794 -0.566 . . . . 0.62 111.273 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -61.97 -39.76 93.25 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 118.772 0.714 . . . . 0.62 110.641 173.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.7 mt -57.5 -34.47 69.1 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 119.1 0.864 . . . . 0.62 109.961 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.5 ttt85 -85.71 22.04 1.72 Allowed 'General case' 0 C--N 1.354 0.781 0 CA-C-O 118.946 -0.55 . . . . 0.76000000000000001 111.893 174.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.3 p30 39.82 29.7 0.05 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-N 121.221 1.828 . . . . 0.68000000000000005 115.309 -174.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.2 m -106.89 -57.65 2.04 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 119.431 1.014 . . . . 0.62 110.204 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.69 153.54 17.46 Favored Glycine 0 C--N 1.354 1.547 0 CA-C-O 117.512 -1.716 . . . . 0.62 110.127 -177.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -72.45 -178.8 3.56 Favored 'Trans proline' 0 C--N 1.357 1.017 0 CA-C-N 121.423 2.612 . . . . 0.53000000000000003 112.755 -178.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mp -74.9 -53.86 8.28 Favored 'General case' 0 C--N 1.351 0.64 0 N-CA-C 109.015 -0.735 . . . . 0.62 109.015 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.58 -120.53 7.78 Favored Glycine 0 C--N 1.354 1.53 0 N-CA-C 110.313 -1.115 . . . . 0.62 110.313 -176.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -76.85 -2.94 35.95 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 119.083 1.442 . . . . 0.76000000000000001 114.479 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.6 t -46.01 -47.74 16.76 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 121.028 1.74 . . . . 0.81999999999999995 109.841 172.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 67.6 m -54.08 -37.61 64.43 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 118.683 0.674 . . . . 0.81999999999999995 111.461 -175.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.22 -48.26 87.0 Favored Glycine 0 C--N 1.351 1.401 0 C-N-CA 119.757 -1.211 . . . . 0.62 110.814 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.05 -47.61 86.1 Favored Glycine 0 C--N 1.353 1.515 0 N-CA-C 108.947 -1.661 . . . . 0.62 108.947 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.4 t -52.15 -44.38 40.46 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 109.094 -0.706 . . . . 0.62 109.094 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -56.73 -47.1 80.76 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 121.625 -0.672 . . . . 0.62 111.003 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.12 -28.22 68.94 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 119.958 1.253 . . . . 0.62 111.656 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 24.4 mt -64.14 -31.52 72.75 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.915 1.234 . . . . 0.62 109.538 175.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.1 t -54.97 -51.25 55.45 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 CA-C-N 120.255 1.389 . . . . 0.62 108.935 177.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -68.49 -39.45 81.29 Favored 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 107.838 -1.171 . . . . 0.68000000000000005 107.838 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 m -79.4 62.1 3.64 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 106.643 -1.614 . . . . 0.62 106.643 172.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -172.24 -54.13 0.02 OUTLIER 'General case' 0 C--N 1.353 0.736 0 N-CA-C 109.366 -0.605 . . . . 0.62 109.366 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . 0.25 1.4 mmp_? -79.09 59.01 2.6 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 121.528 -0.732 . . . . 0.76000000000000001 112.349 174.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 m -147.08 39.87 1.03 Allowed 'General case' 0 C--N 1.358 0.935 0 N-CA-C 107.562 -1.273 . . . . 0.62 107.562 169.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.6 m 52.98 -75.01 0.01 OUTLIER 'General case' 0 C--N 1.356 0.882 0 N-CA-C 115.919 1.822 . . . . 0.62 115.919 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -71.47 -40.66 70.14 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 121.179 1.809 . . . . 0.70999999999999996 108.586 -175.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -45.58 -52.49 10.48 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-O 117.671 -1.157 . . . . 0.70999999999999996 111.732 176.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -35.9 76.15 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-N 121.544 1.975 . . . . 0.76000000000000001 109.785 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -61.89 -41.93 98.47 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 119.098 -1.041 . . . . 0.68000000000000005 108.937 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.0 mm -72.04 -49.44 44.07 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 N-CA-C 108.654 -0.869 . . . . 0.62 108.654 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.34 -63.49 1.13 Allowed 'General case' 0 C--N 1.353 0.732 0 CA-C-N 120.112 1.324 . . . . 0.62 109.842 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.5 p -47.65 -44.19 26.79 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 119.844 1.202 . . . . 0.81999999999999995 113.047 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.5 p -68.24 -48.83 64.07 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-N 119.86 1.209 . . . . 0.62 110.027 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 51.7 t -52.36 -40.58 62.16 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 119.114 -1.035 . . . . 0.81999999999999995 110.567 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.6 mt -77.94 -42.23 33.66 Favored 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 119.849 -0.74 . . . . 0.62 110.208 -175.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -47.04 -48.62 22.18 Favored 'General case' 0 C--N 1.347 0.494 0 N-CA-C 108.576 -0.898 . . . . 0.62 108.576 171.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.5 t -63.35 -48.98 75.69 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.693 -0.67 . . . . 0.62 110.954 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.62 -54.55 40.02 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.587 1.085 . . . . 0.62 109.783 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.56 -51.04 29.68 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.251 -0.648 . . . . 0.62 109.251 -177.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.16 -38.54 94.58 Favored Glycine 0 C--N 1.354 1.56 0 C-N-CA 120.06 -1.066 . . . . 0.62 111.887 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.68 -29.84 69.22 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 118.88 1.34 . . . . 0.62 112.602 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 47.8 mm -61.64 136.84 24.63 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-N 120.31 1.414 . . . . 0.62 110.751 -175.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.9 p -69.06 -53.07 22.33 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 119.406 1.003 . . . . 0.62 113.524 -178.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -99.77 40.83 2.32 Favored Glycine 0 C--N 1.355 1.588 0 CA-C-N 119.317 0.962 . . . . 0.62 110.782 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.9 tp -52.02 122.17 2.41 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-O 117.0 -1.476 . . . . 0.62 112.009 -175.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -100.49 115.51 30.25 Favored 'General case' 0 C--N 1.359 1.009 0 CA-C-N 121.386 1.903 . . . . 0.68000000000000005 108.895 171.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.2 tp -54.13 -45.43 71.93 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-N 118.928 0.786 . . . . 0.62 111.419 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.19 -44.14 93.3 Favored Glycine 0 C--N 1.354 1.576 0 C-N-CA 120.212 -0.994 . . . . 0.62 113.331 -176.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -72.66 -39.74 66.88 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 119.051 1.426 . . . . 0.62 109.244 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.5 -57.29 13.33 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.697 1.135 . . . . 0.62 110.695 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.29 -28.35 66.2 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-O 117.98 -1.009 . . . . 0.62 111.17 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -80.22 1.49 80.53 Favored Glycine 0 C--N 1.354 1.556 0 CA-C-O 117.765 -1.575 . . . . 0.62 113.188 173.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.78 -49.26 90.28 Favored Pre-proline 0 C--N 1.355 0.829 0 CA-C-N 121.161 2.48 . . . . 0.62 110.922 -177.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -65.47 -31.85 50.57 Favored 'Trans proline' 0 C--N 1.365 1.447 0 CA-C-N 124.499 2.642 . . . . 0.53000000000000003 111.281 177.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 m -67.89 -39.07 83.7 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 118.55 0.614 . . . . 0.62 111.552 -178.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 80.4 m -62.27 -40.34 95.9 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 107.907 -1.145 . . . . 0.62 107.907 -177.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.2 m -116.91 88.07 2.83 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 106.664 -1.606 . . . . 0.81999999999999995 106.664 172.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.71 127.65 3.11 Favored Glycine 0 C--N 1.356 1.653 0 CA-C-O 118.465 -1.186 . . . . 0.62 113.224 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -151.42 161.41 3.34 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 CA-C-N 118.725 1.263 . . . . 0.62 107.765 -177.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -84.13 54.52 2.97 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 120.909 1.686 . . . . 0.68000000000000005 110.497 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.0 mt -91.31 120.89 68.28 Favored Pre-proline 0 C--N 1.355 0.813 0 CA-C-O 116.374 -1.774 . . . . 0.62 107.878 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -86.97 65.27 4.42 Favored 'Trans proline' 0 C--N 1.363 1.301 0 CA-C-N 123.616 2.327 . . . . 0.53000000000000003 111.474 177.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . 0.251 23.7 p90 -179.38 146.48 0.28 Allowed 'General case' 0 C--O 1.217 -0.647 0 CA-C-O 118.528 -0.749 . . . . 0.62 109.682 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -112.17 50.27 0.87 Allowed 'General case' 0 C--N 1.353 0.74 0 CA-C-N 120.534 1.516 . . . . 0.62 107.013 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.4 mt 29.75 59.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.349 0.553 0 CA-C-N 114.672 -1.149 . . . . 0.62 113.317 175.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.2 m -83.55 134.58 44.78 Favored Pre-proline 0 C--N 1.352 0.684 0 CA-C-O 116.091 -1.909 . . . . 0.62 109.269 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -65.02 11.97 0.11 Allowed 'Trans proline' 0 C--N 1.363 1.295 0 CA-C-N 123.648 2.338 . . . . 0.53000000000000003 116.209 170.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.5 p -140.95 26.91 2.02 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 121.135 1.789 . . . . 0.62 111.468 176.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.0 t -79.42 146.4 32.81 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 119.893 1.224 . . . . 0.62 112.532 -177.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -88.31 145.08 26.03 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 107.771 -1.196 . . . . 0.70999999999999996 107.771 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 C--N 1.355 0.839 0 CA-C-N 119.363 0.983 . . . . 0.81999999999999995 112.739 176.123 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.4 mm . . . . . 0 CA--C 1.505 -0.755 0 N-CA-C 108.394 -0.965 . . . . 0.62 108.394 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.8 m -143.69 150.27 38.43 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 118.742 0.701 . . . . 0.62 109.419 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.9 m -54.07 -32.41 54.58 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-O 117.918 -1.039 . . . . 0.81999999999999995 113.575 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.85 -50.04 51.91 Favored Glycine 0 C--N 1.351 1.405 0 CA-C-N 120.67 1.577 . . . . 0.62 112.562 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -57.78 -35.1 70.33 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 118.217 1.009 . . . . 0.68000000000000005 110.679 177.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.2 t -75.17 -51.99 19.91 Favored 'Isoleucine or valine' 0 C--N 1.35 0.602 0 N-CA-C 109.257 -0.646 . . . . 0.62 109.257 -172.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 m -56.54 -38.6 72.09 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 118.103 0.411 . . . . 0.62 110.24 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.1 m -65.17 -53.53 43.44 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 120.586 -0.446 . . . . 0.62 110.722 -177.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -60.92 -41.95 97.17 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 119.759 -0.776 . . . . 0.68000000000000005 110.18 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.307 5.5 mp -79.71 18.67 0.74 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.426 -1.273 . . . . 0.62 114.086 179.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.99 -54.02 54.8 Favored Pre-proline 0 C--N 1.353 0.737 0 CA-C-N 121.865 2.12 . . . . 0.62 112.821 -175.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -70.14 -28.57 23.26 Favored 'Trans proline' 0 C--N 1.362 1.287 0 CA-C-N 124.056 2.484 . . . . 0.53000000000000003 110.394 -177.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.6 m -60.56 -38.79 85.71 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 108.697 -0.853 . . . . 0.81999999999999995 108.697 177.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.5 mt -54.95 -44.94 74.78 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 119.88 1.218 . . . . 0.62 109.011 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.98 88.07 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 119.714 -0.795 . . . . 0.62 110.305 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -62.84 -37.96 88.89 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 112.722 0.638 . . . . 0.62 112.722 175.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.44 -40.28 96.08 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 119.224 0.92 . . . . 0.62 109.832 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -65.81 -10.77 40.75 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 118.16 -0.924 . . . . 0.76000000000000001 112.233 175.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.9 t30 63.58 58.82 1.26 Allowed 'General case' 0 C--N 1.356 0.871 0 CA-C-N 120.426 1.466 . . . . 0.68000000000000005 108.846 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -159.87 -49.98 0.05 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.058 -1.448 . . . . 0.62 113.015 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -98.94 147.91 18.65 Favored Glycine 0 C--N 1.359 1.839 0 CA-C-N 121.407 1.912 . . . . 0.62 109.177 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -72.72 136.5 25.68 Favored 'Trans proline' 0 C--N 1.354 0.865 0 CA-C-N 121.418 2.609 . . . . 0.53000000000000003 114.799 -174.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -58.95 -32.59 69.76 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 120.342 1.428 . . . . 0.62 112.083 173.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.15 -132.11 19.17 Favored Glycine 0 C--N 1.348 1.218 0 CA-C-O 117.877 -1.513 . . . . 0.62 113.078 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -91.25 31.24 1.15 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.639 1.72 . . . . 0.76000000000000001 112.241 -177.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 46.5 t -55.12 -39.93 69.94 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 120.126 1.33 . . . . 0.81999999999999995 110.242 175.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.7 m -47.71 -38.58 15.55 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 112.414 0.524 . . . . 0.81999999999999995 112.414 -172.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.09 -51.04 58.29 Favored Glycine 0 C--N 1.35 1.342 0 C-N-CA 119.946 -1.121 . . . . 0.62 111.823 178.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.0 -31.28 80.3 Favored Glycine 0 C--N 1.353 1.482 0 C-N-CA 119.7 -1.238 . . . . 0.62 111.713 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.42 -53.42 47.57 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 N-CA-C 106.898 -1.519 . . . . 0.62 106.898 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -49.89 -48.36 51.48 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 116.549 -0.296 . . . . 0.62 110.935 -176.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.61 -48.04 58.05 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 119.532 -0.867 . . . . 0.62 110.714 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.7 mt -67.61 -28.73 67.99 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 118.293 -0.861 . . . . 0.62 112.863 -177.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.2 t -47.85 -46.82 12.17 Favored 'Isoleucine or valine' 0 C--N 1.348 0.51 0 N-CA-C 107.439 -1.319 . . . . 0.62 107.439 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -55.01 -44.54 74.66 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 109.158 -0.682 . . . . 0.68000000000000005 109.158 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 94.9 p -91.47 47.94 1.43 Allowed 'General case' 0 C--N 1.35 0.595 0 CA-C-O 119.403 -0.332 . . . . 0.62 110.737 171.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -158.89 48.44 0.33 Allowed 'General case' 0 C--N 1.348 0.502 0 N-CA-C 109.228 -0.656 . . . . 0.62 109.228 171.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.85 -41.36 0.15 Allowed 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 117.199 -1.381 . . . . 0.76000000000000001 112.189 -173.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.81 46.31 0.01 OUTLIER 'General case' 0 C--N 1.36 1.031 0 CA-C-N 122.01 2.186 . . . . 0.62 116.543 175.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.7 m 67.46 -57.34 0.44 Allowed 'General case' 0 N--CA 1.478 0.97 0 O-C-N 118.672 -2.517 . . . . 0.62 115.777 176.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -79.87 -67.26 0.78 Allowed 'General case' 0 C--N 1.352 0.702 0 N-CA-C 107.1 -1.445 . . . . 0.70999999999999996 107.1 -177.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 44' ' ' ARG . 3.2 p30 -48.28 -44.96 34.18 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 110.016 -0.364 . . . . 0.70999999999999996 110.016 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.426 ' N ' ' OD1' ' A' ' 43' ' ' ASP . 46.2 ttp180 -42.06 -50.37 4.69 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 113.324 0.861 . . . . 0.76000000000000001 113.324 176.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -76.25 -39.4 54.55 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 109.048 -0.723 . . . . 0.68000000000000005 109.048 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mp -53.95 -50.26 54.47 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-N 118.701 0.682 . . . . 0.62 109.966 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.01 -43.06 79.71 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 108.293 -1.003 . . . . 0.62 108.293 -174.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.2 t -53.03 -55.42 23.81 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 118.357 -0.83 . . . . 0.81999999999999995 110.963 175.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.8 t -65.04 -38.82 92.12 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.431 1.468 . . . . 0.62 111.491 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 94.7 m -60.72 -47.94 84.05 Favored 'General case' 0 CA--C 1.505 -0.756 0 C-N-CA 119.29 -0.964 . . . . 0.81999999999999995 109.583 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.6 mt -66.05 -52.7 46.58 Favored 'General case' 0 CA--C 1.504 -0.804 0 C-N-CA 119.097 -1.041 . . . . 0.62 109.943 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -39.34 -42.88 1.1 Allowed 'General case' 0 C--N 1.344 0.357 0 C-N-CA 120.367 -0.533 . . . . 0.62 110.083 172.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.4 m -71.48 -50.3 32.91 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 118.419 0.554 . . . . 0.62 110.951 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.51 -44.57 80.87 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 118.865 0.757 . . . . 0.62 110.165 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.32 -59.54 4.98 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 108.878 -0.786 . . . . 0.62 108.878 173.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.91 -23.42 61.37 Favored Glycine 0 C--N 1.35 1.339 0 C-N-CA 120.062 -1.066 . . . . 0.62 113.289 -174.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.69 -25.97 67.74 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.539 1.67 . . . . 0.62 112.134 176.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.4 mt -80.4 132.03 32.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 CA-C-N 119.783 1.174 . . . . 0.62 109.168 -174.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.0 m -76.33 -49.33 17.19 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-N 120.21 1.368 . . . . 0.62 109.892 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.49 40.16 2.57 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-N 119.237 0.926 . . . . 0.62 112.406 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.8 tt -64.2 138.64 22.71 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 CA-C-N 119.469 1.635 . . . . 0.62 110.54 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -92.22 123.02 35.25 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.406 1.003 . . . . 0.68000000000000005 109.288 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.7 -50.92 63.11 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 119.269 0.941 . . . . 0.62 109.254 -174.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.67 -43.24 94.48 Favored Glycine 0 C--N 1.351 1.414 0 CA-C-O 118.369 -1.239 . . . . 0.62 111.863 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -70.87 -31.08 67.64 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 119.709 1.755 . . . . 0.62 110.6 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.48 -51.51 68.17 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 120.623 1.556 . . . . 0.62 109.45 171.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.37 -26.63 62.88 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 118.767 -1.173 . . . . 0.62 111.595 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -78.47 -22.3 67.65 Favored Glycine 0 C--N 1.353 1.496 0 CA-C-O 118.47 -1.183 . . . . 0.62 113.061 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.9 tp -49.35 -50.56 64.16 Favored Pre-proline 0 C--N 1.348 0.531 0 CA-C-N 120.61 2.205 . . . . 0.62 113.987 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -64.26 -21.71 67.07 Favored 'Trans proline' 0 C--N 1.357 0.981 0 CA-C-N 124.475 2.634 . . . . 0.53000000000000003 111.866 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.7 t -77.05 -52.95 8.44 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.848 1.204 . . . . 0.62 108.89 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.5 m -60.28 -47.39 86.22 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 109.31 -0.626 . . . . 0.62 109.31 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 38.6 m -92.49 69.33 4.94 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 107.708 -1.219 . . . . 0.81999999999999995 107.708 169.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -31.94 108.51 0.03 OUTLIER Glycine 0 C--N 1.35 1.355 0 CA-C-O 117.988 -1.451 . . . . 0.62 113.625 175.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 m -143.94 155.76 15.77 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 CA-C-N 119.606 1.703 . . . . 0.62 110.618 176.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -88.32 57.47 4.27 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 119.367 0.985 . . . . 0.68000000000000005 110.706 -176.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 13.4 pt -97.28 135.16 21.97 Favored Pre-proline 0 C--N 1.358 0.952 0 CA-C-O 117.19 -1.386 . . . . 0.62 110.193 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -87.54 51.41 2.15 Favored 'Trans proline' 0 C--N 1.357 1.023 0 CA-C-N 122.45 1.911 . . . . 0.53000000000000003 112.173 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -163.67 142.06 7.72 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-O 117.496 -1.24 . . . . 0.62 110.109 176.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -87.94 28.48 1.03 Allowed 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.741 1.609 . . . . 0.62 113.408 -175.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mt 44.69 36.09 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.712 0 O-C-N 120.865 -1.147 . . . . 0.62 110.62 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.2 m -95.43 130.53 31.9 Favored Pre-proline 0 C--N 1.353 0.751 0 CA-C-O 116.086 -1.911 . . . . 0.62 108.022 -171.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -75.18 66.29 6.19 Favored 'Trans proline' 0 C--N 1.363 1.308 0 CA-C-N 124.349 2.589 . . . . 0.53000000000000003 110.77 -178.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.6 p -177.84 -53.14 0.01 OUTLIER 'General case' 0 C--N 1.354 0.773 0 CA-C-O 118.362 -0.828 . . . . 0.62 110.717 -174.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.2 t -42.99 143.54 0.73 Allowed 'General case' 0 C--N 1.357 0.9 0 CA-C-N 119.415 1.007 . . . . 0.62 112.375 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -71.28 127.32 32.18 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 118.258 -0.877 . . . . 0.70999999999999996 108.825 176.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 78.0 m . . . . . 0 C--N 1.354 0.775 0 CA-C-N 119.694 1.134 . . . . 0.81999999999999995 110.343 170.067 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 118.413 -0.803 . . . . 0.62 112.719 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 m -161.69 148.49 14.21 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 120.43 1.468 . . . . 0.62 111.298 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 85.1 m -53.82 -33.59 56.63 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 115.128 1.529 . . . . 0.81999999999999995 115.128 -178.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.01 -50.2 62.88 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-N 120.989 1.722 . . . . 0.62 111.03 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -60.85 -45.11 95.78 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 118.171 0.985 . . . . 0.68000000000000005 109.668 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.6 t -58.41 -56.25 17.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 107.633 -1.247 . . . . 0.62 107.633 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.0 m -59.21 -39.38 82.49 Favored 'General case' 0 C--N 1.347 0.496 0 N-CA-C 109.14 -0.689 . . . . 0.62 109.14 -174.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.1 m -63.62 -52.11 62.31 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 120.225 -0.59 . . . . 0.62 110.218 -179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -53.93 -32.02 52.25 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 119.851 -0.74 . . . . 0.68000000000000005 111.393 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.3 mt -71.16 2.92 3.98 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 116.134 -1.888 . . . . 0.62 113.338 177.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.72 -56.17 9.11 Favored Pre-proline 0 C--N 1.358 0.941 0 CA-C-N 123.508 2.867 . . . . 0.62 115.152 -172.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.33 -15.58 22.47 Favored 'Trans proline' 0 C--N 1.362 1.246 0 CA-C-N 123.776 2.384 . . . . 0.53000000000000003 111.248 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.7 m -73.51 -48.98 29.0 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 119.969 1.259 . . . . 0.81999999999999995 107.656 176.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.8 mt -46.05 -44.6 15.49 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 109.358 -0.608 . . . . 0.62 109.358 178.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.81 -44.95 90.94 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 120.409 -0.516 . . . . 0.62 111.497 177.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -59.69 -45.13 93.02 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.018 0.826 . . . . 0.62 110.192 175.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.4 mt -59.45 -40.69 87.65 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 118.54 0.609 . . . . 0.62 111.333 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -69.21 -5.69 24.3 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-O 117.729 -1.129 . . . . 0.76000000000000001 112.574 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 65.24 59.12 0.84 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.819 1.645 . . . . 0.68000000000000005 109.104 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -160.19 -46.89 0.05 OUTLIER 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.396 -1.288 . . . . 0.62 113.0 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.44 159.37 16.99 Favored Glycine 0 C--N 1.358 1.786 0 CA-C-O 117.341 -1.811 . . . . 0.62 110.914 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -81.14 174.35 10.88 Favored 'Trans proline' 0 C--N 1.358 1.057 0 CA-C-N 121.47 2.635 . . . . 0.53000000000000003 112.237 -178.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mp -64.84 -47.25 78.64 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.893 -0.575 . . . . 0.62 110.186 176.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 51.61 -120.47 10.26 Favored Glycine 0 C--N 1.351 1.38 0 CA-C-O 117.581 -1.677 . . . . 0.62 112.036 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -89.55 18.52 5.3 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-N 120.358 2.079 . . . . 0.76000000000000001 112.391 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.3 t -55.26 -52.14 64.37 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 120.091 1.314 . . . . 0.81999999999999995 109.938 176.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.4 m -55.91 -37.41 68.86 Favored 'General case' 0 C--N 1.347 0.466 0 C-N-CA 118.851 -1.139 . . . . 0.81999999999999995 109.73 -176.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.6 -48.17 87.35 Favored Glycine 0 C--N 1.354 1.55 0 C-N-CA 120.037 -1.078 . . . . 0.62 111.611 176.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.82 -49.52 75.09 Favored Glycine 0 C--N 1.353 1.481 0 C-N-CA 119.267 -1.445 . . . . 0.62 109.746 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.5 t -52.91 -50.88 41.81 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 N-CA-C 108.253 -1.018 . . . . 0.62 108.253 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -49.27 -51.27 34.76 Favored 'General case' 0 C--N 1.35 0.611 0 N-CA-C 112.284 0.476 . . . . 0.62 112.284 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.81 -38.89 73.2 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 118.888 0.767 . . . . 0.62 111.426 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.5 mt -69.17 -44.79 71.5 Favored 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 108.955 -0.757 . . . . 0.62 108.955 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 50.6 t -54.21 -48.37 66.54 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 109.218 -0.66 . . . . 0.62 109.218 -177.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -54.54 -43.97 72.44 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 119.572 -0.851 . . . . 0.68000000000000005 110.43 175.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.6 m -92.74 38.68 1.02 Allowed 'General case' 0 C--N 1.354 0.787 0 CA-C-N 119.242 0.928 . . . . 0.62 111.261 176.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -162.53 49.9 0.18 Allowed 'General case' 0 C--N 1.352 0.711 0 CA-C-O 118.376 -0.821 . . . . 0.62 109.347 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.11 36.71 0.93 Allowed 'General case' 0 C--N 1.356 0.889 0 CA-C-N 118.784 0.72 . . . . 0.76000000000000001 112.769 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.4 t -140.25 50.04 1.72 Allowed 'General case' 0 C--N 1.35 0.608 0 CA-C-N 119.507 1.048 . . . . 0.62 108.959 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.9 m 68.37 -71.4 0.11 Allowed 'General case' 0 C--N 1.353 0.722 0 N-CA-C 112.689 0.625 . . . . 0.62 112.689 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.89 -58.15 9.65 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 120.1 1.318 . . . . 0.70999999999999996 110.118 -174.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -62.87 -41.04 99.24 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 120.082 -0.647 . . . . 0.70999999999999996 111.491 -177.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.413 ' CZ ' ' CE1' ' A' ' 79' ' ' TYR . 3.7 tpm_? -48.6 -44.31 36.89 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 119.047 -0.502 . . . . 0.76000000000000001 111.074 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -62.46 -47.06 85.68 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.13 0.877 . . . . 0.68000000000000005 110.901 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.4 mm -62.53 -50.67 78.9 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 N-CA-C 107.102 -1.444 . . . . 0.62 107.102 -174.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.2 85.01 Favored 'General case' 0 CA--C 1.505 -0.772 0 C-N-CA 119.111 -1.036 . . . . 0.62 109.306 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.8 t -49.82 -50.21 45.97 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 120.045 1.293 . . . . 0.81999999999999995 110.798 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.57 -40.7 97.64 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.889 -0.724 . . . . 0.62 110.455 -178.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 57.7 m -70.08 -43.53 70.94 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 120.193 -0.603 . . . . 0.81999999999999995 111.878 -177.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.1 mt -58.38 -49.66 76.46 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 108.412 -0.959 . . . . 0.62 108.412 176.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -51.77 -51.98 52.24 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 116.377 -0.374 . . . . 0.62 110.488 174.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -60.5 -48.27 82.51 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.385 0.539 . . . . 0.62 111.023 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.87 -53.73 37.17 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 109.902 -0.407 . . . . 0.62 109.902 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.22 -52.25 66.49 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 119.982 -0.687 . . . . 0.62 109.797 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.03 -24.17 58.06 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-O 118.038 -1.423 . . . . 0.62 112.87 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.63 -22.74 67.06 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.232 2.016 . . . . 0.62 111.324 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 34.8 mm -78.94 130.27 36.38 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 CA-C-N 119.39 0.996 . . . . 0.62 110.147 -171.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.9 m -73.85 -53.43 10.21 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.4 1.0 . . . . 0.62 109.227 -174.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.73 45.88 2.92 Favored Glycine 0 C--N 1.356 1.659 0 N-CA-C 110.029 -1.228 . . . . 0.62 110.029 175.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 tt -56.38 131.24 19.75 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-N 118.52 1.16 . . . . 0.62 109.242 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -96.15 120.22 36.04 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.653 1.115 . . . . 0.68000000000000005 108.209 175.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.7 tt -61.2 -52.34 65.22 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.169 0.895 . . . . 0.62 109.699 -173.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.34 -43.45 93.77 Favored Glycine 0 C--N 1.353 1.503 0 CA-C-O 118.658 -1.079 . . . . 0.62 112.556 -176.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -66.44 -41.46 89.12 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 119.319 1.56 . . . . 0.62 109.328 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.11 82.78 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 120.389 1.449 . . . . 0.62 110.329 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.73 -29.03 65.18 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 119.368 -0.933 . . . . 0.62 112.276 177.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -79.71 -20.07 69.31 Favored Glycine 0 C--N 1.353 1.484 0 CA-C-O 118.542 -1.143 . . . . 0.62 112.445 176.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.4 tp -49.37 -56.46 16.14 Favored Pre-proline 0 C--N 1.352 0.704 0 CA-C-N 119.852 1.826 . . . . 0.62 112.672 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.27 -32.8 15.8 Favored 'Trans proline' 0 C--N 1.355 0.907 0 CA-C-N 123.587 2.317 . . . . 0.53000000000000003 110.191 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.7 m -58.75 -36.66 74.7 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 119.692 1.133 . . . . 0.62 110.029 176.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.7 m -56.7 -47.92 78.85 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 108.036 -1.098 . . . . 0.62 108.036 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 56.4 m -113.75 74.07 0.85 Allowed 'General case' 0 C--N 1.354 0.764 0 N-CA-C 108.659 -0.867 . . . . 0.81999999999999995 108.659 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.4 113.94 4.65 Favored Glycine 0 C--N 1.353 1.493 0 CA-C-O 118.223 -1.321 . . . . 0.62 112.46 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.12 -161.9 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.786 0 N-CA-C 105.098 -2.186 . . . . 0.62 105.098 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -71.58 72.63 0.74 Allowed 'General case' 0 C--N 1.356 0.864 0 CA-C-N 123.562 2.892 . . . . 0.68000000000000005 111.72 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 43.5 mt -121.09 95.31 48.82 Favored Pre-proline 0 C--N 1.355 0.837 0 CA-C-O 116.906 -1.521 . . . . 0.62 109.431 177.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -83.98 57.16 5.34 Favored 'Trans proline' 0 C--N 1.362 1.238 0 CA-C-N 123.051 2.125 . . . . 0.53000000000000003 111.257 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.413 ' CE1' ' CZ ' ' A' ' 44' ' ' ARG . 34.0 p90 -166.71 174.87 8.31 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 117.004 -1.474 . . . . 0.62 109.462 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.76 45.47 2.81 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 121.092 1.769 . . . . 0.62 109.286 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 42.5 mt 35.88 52.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-N 115.312 -0.858 . . . . 0.62 109.656 -177.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.1 m -68.0 127.39 93.32 Favored Pre-proline 0 C--N 1.353 0.751 0 CA-C-O 116.015 -1.945 . . . . 0.62 108.495 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -67.32 4.63 1.17 Allowed 'Trans proline' 0 C--N 1.358 1.039 0 CA-C-N 124.788 2.746 . . . . 0.53000000000000003 113.67 172.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.7 m -140.31 34.0 1.89 Allowed 'General case' 0 C--N 1.358 0.953 0 CA-C-N 121.488 1.949 . . . . 0.62 111.096 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.5 t -83.06 152.88 25.17 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 120.031 1.287 . . . . 0.62 109.983 177.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -94.96 131.1 41.28 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 107.403 -1.332 . . . . 0.70999999999999996 107.403 174.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 90.1 m . . . . . 0 C--N 1.351 0.659 0 CA-C-N 119.261 0.937 . . . . 0.81999999999999995 109.016 174.608 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.505 0 CA-C-O 118.295 -0.86 . . . . 0.62 112.489 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.6 p -149.19 158.06 43.87 Favored 'General case' 0 C--N 1.36 1.028 0 CA-C-N 119.484 1.038 . . . . 0.62 109.861 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 80.5 m -49.31 -44.62 44.4 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 113.924 1.083 . . . . 0.81999999999999995 113.924 -177.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.91 -43.91 61.31 Favored Glycine 0 C--N 1.349 1.26 0 C-N-CA 119.179 -1.486 . . . . 0.62 111.44 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -69.28 -44.72 71.27 Favored 'General case' 0 C--N 1.351 0.665 0 N-CA-C 108.956 -0.757 . . . . 0.68000000000000005 108.956 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.1 t -59.63 -54.03 40.16 Favored 'Isoleucine or valine' 0 C--N 1.349 0.574 0 C-N-CA 120.034 -0.666 . . . . 0.62 109.552 -174.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.3 m -58.78 -41.04 85.71 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 119.85 -0.74 . . . . 0.62 109.725 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.9 t -58.97 -44.65 91.57 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 119.957 -0.697 . . . . 0.62 111.059 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -53.24 -42.92 66.93 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.218 0.917 . . . . 0.68000000000000005 110.163 175.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 mp -85.68 21.69 1.79 Allowed 'General case' 0 C--N 1.349 0.546 0 N-CA-C 113.915 1.08 . . . . 0.62 113.915 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.35 -52.81 59.48 Favored Pre-proline 0 C--N 1.353 0.756 0 CA-C-O 116.32 -1.8 . . . . 0.62 112.878 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -75.18 -16.11 19.99 Favored 'Trans proline' 0 C--N 1.361 1.228 0 CA-C-N 124.109 2.503 . . . . 0.53000000000000003 111.783 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.5 m -68.21 -35.27 77.7 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.989 1.268 . . . . 0.81999999999999995 109.88 172.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.3 mt -48.4 -42.99 33.51 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 108.434 -0.95 . . . . 0.62 108.434 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.68 -46.75 77.55 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 111.885 0.328 . . . . 0.62 111.885 175.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -60.37 -40.77 91.99 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 121.919 -0.488 . . . . 0.62 111.079 177.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.17 -35.95 81.82 Favored 'General case' 0 CA--C 1.508 -0.664 0 O-C-N 123.153 0.283 . . . . 0.62 111.718 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -63.81 -13.8 47.54 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 119.649 -0.821 . . . . 0.76000000000000001 111.881 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.6 t30 68.09 51.45 0.73 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-N 119.954 1.252 . . . . 0.68000000000000005 110.581 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.3 t -165.92 -47.98 0.03 OUTLIER 'General case' 0 C--N 1.352 0.684 0 CA-C-O 117.941 -1.028 . . . . 0.62 113.058 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -91.69 157.87 24.8 Favored Glycine 0 C--N 1.354 1.582 0 CA-C-N 120.637 1.562 . . . . 0.62 110.01 -177.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -73.93 175.13 11.24 Favored 'Trans proline' 0 C--N 1.354 0.838 0 CA-C-N 120.563 2.181 . . . . 0.53000000000000003 113.496 -175.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mp -75.4 -35.35 61.04 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 118.662 -0.685 . . . . 0.62 110.674 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.19 -121.26 21.53 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-O 117.725 -1.597 . . . . 0.62 110.758 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.4 mmt85 -99.28 37.64 1.53 Allowed 'General case' 0 C--N 1.358 0.942 0 CA-C-N 119.952 1.876 . . . . 0.76000000000000001 111.705 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.4 t -62.29 -54.03 46.48 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 121.597 -0.689 . . . . 0.81999999999999995 109.543 174.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.9 m -54.46 -42.09 70.23 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 118.661 -1.216 . . . . 0.81999999999999995 110.209 -176.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.22 -47.46 90.7 Favored Glycine 0 C--N 1.352 1.421 0 C-N-CA 119.656 -1.259 . . . . 0.62 112.145 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.57 -43.31 96.72 Favored Glycine 0 C--N 1.352 1.433 0 C-N-CA 119.494 -1.336 . . . . 0.62 111.628 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.0 t -60.93 -52.0 66.69 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 107.25 -1.389 . . . . 0.62 107.25 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -41.03 -47.46 3.09 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 112.532 0.567 . . . . 0.62 112.532 -178.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.72 95.32 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 118.878 -1.129 . . . . 0.62 110.112 -176.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.8 mt -70.21 -30.11 67.13 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-O 117.429 -1.272 . . . . 0.62 110.552 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.1 t -54.64 -47.41 72.75 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-N 121.827 2.103 . . . . 0.62 108.352 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -64.46 -37.67 88.35 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 119.624 -0.83 . . . . 0.68000000000000005 111.359 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 65.7 m -80.92 -40.36 24.73 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 118.347 0.521 . . . . 0.62 110.916 -176.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.32 46.53 0.11 Allowed 'General case' 0 C--N 1.348 0.534 0 C-N-CA 123.496 0.718 . . . . 0.62 112.511 175.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -136.29 42.8 2.53 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.534 1.061 . . . . 0.76000000000000001 109.589 171.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 42' ' ' GLU . 1.9 m -133.09 30.22 3.97 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 109.414 -0.587 . . . . 0.62 109.414 172.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.27 27.9 m 57.3 -73.04 0.02 OUTLIER 'General case' 0 C--N 1.355 0.838 0 N-CA-C 113.633 0.975 . . . . 0.62 113.633 -176.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 40' ' ' THR . 1.9 tm-20 -52.52 -51.93 57.17 Favored 'General case' 0 C--N 1.347 0.482 0 N-CA-C 107.634 -1.247 . . . . 0.70999999999999996 107.634 -178.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -63.56 -44.23 94.74 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 119.798 -0.761 . . . . 0.70999999999999996 112.656 -177.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -52.34 -41.11 62.74 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 112.856 0.687 . . . . 0.76000000000000001 112.856 176.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -60.47 -39.21 86.81 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 118.854 -1.138 . . . . 0.68000000000000005 110.149 -176.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.3 mm -62.37 -50.04 81.52 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 N-CA-C 108.104 -1.073 . . . . 0.62 108.104 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.55 -63.19 1.2 Allowed 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.376 0.989 . . . . 0.62 111.18 -177.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.2 p -60.85 -41.47 95.94 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 118.023 -0.989 . . . . 0.81999999999999995 112.621 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 49.5 m -66.45 -45.7 78.91 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.59 1.541 . . . . 0.62 109.79 -175.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 89.3 m -60.9 -43.52 98.39 Favored 'General case' 0 CA--C 1.511 -0.545 0 O-C-N 121.035 -1.041 . . . . 0.81999999999999995 110.517 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.9 mt -68.24 -43.24 78.34 Favored 'General case' 0 CA--C 1.507 -0.677 0 C-N-CA 119.343 -0.943 . . . . 0.62 110.212 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -46.24 -52.08 13.19 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 109.054 -0.721 . . . . 0.62 109.054 175.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.8 p -66.81 -42.8 85.33 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 118.384 -0.817 . . . . 0.62 110.948 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.26 -53.96 52.34 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 120.178 1.354 . . . . 0.62 109.407 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.48 -49.31 64.96 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 120.233 -0.587 . . . . 0.62 110.013 175.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.68 -35.0 56.76 Favored Glycine 0 C--N 1.35 1.358 0 C-N-CA 119.534 -1.317 . . . . 0.62 112.317 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.51 -32.56 72.62 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 118.896 1.348 . . . . 0.62 113.087 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 68.4 mt -67.68 132.29 32.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 CA-C-N 119.729 1.15 . . . . 0.62 108.778 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.5 m -71.82 -52.21 18.6 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 120.101 1.318 . . . . 0.62 113.152 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.19 41.17 3.08 Favored Glycine 0 C--N 1.355 1.598 0 CA-C-N 119.504 1.047 . . . . 0.62 111.565 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.13 138.14 22.88 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 CA-C-O 117.626 -1.178 . . . . 0.62 109.136 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -110.78 127.22 55.29 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 119.102 0.865 . . . . 0.68000000000000005 109.69 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.43 -48.84 76.12 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 109.284 -0.636 . . . . 0.62 109.284 -173.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.24 -39.84 95.1 Favored Glycine 0 C--N 1.351 1.399 0 C-N-CA 119.84 -1.171 . . . . 0.62 112.173 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -66.71 -40.31 88.38 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 118.256 1.028 . . . . 0.62 109.203 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.56 -55.51 31.14 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 119.513 -0.875 . . . . 0.62 112.39 173.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.55 -16.52 63.77 Favored 'General case' 0 C--N 1.346 0.442 0 C-N-CA 118.895 -1.122 . . . . 0.62 112.5 175.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.86 -26.06 74.82 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-N 120.661 1.573 . . . . 0.62 113.745 175.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.0 mt -48.89 -56.79 13.5 Favored Pre-proline 0 C--N 1.351 0.658 0 CA-C-N 120.22 2.01 . . . . 0.62 114.325 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.22 -22.06 55.16 Favored 'Trans proline' 0 C--N 1.36 1.166 0 CA-C-N 123.927 2.438 . . . . 0.53000000000000003 113.064 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.2 t -83.85 -53.23 5.75 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 119.419 1.009 . . . . 0.62 109.671 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.7 m -67.94 -46.83 70.36 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 118.302 0.501 . . . . 0.62 110.642 -177.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 86.9 m -90.83 64.88 5.65 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 107.452 -1.314 . . . . 0.81999999999999995 107.452 171.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -36.21 101.43 0.01 OUTLIER Glycine 0 C--N 1.351 1.417 0 CA-C-O 117.763 -1.576 . . . . 0.62 114.53 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 7.8 m -141.08 157.05 22.43 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 CA-C-N 119.449 1.625 . . . . 0.62 110.126 176.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -80.98 61.73 4.69 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 118.974 0.806 . . . . 0.68000000000000005 110.52 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.3 pt -89.26 119.01 69.66 Favored Pre-proline 0 C--N 1.359 1.002 0 CA-C-O 116.837 -1.554 . . . . 0.62 107.977 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -81.85 54.28 4.98 Favored 'Trans proline' 0 C--N 1.356 0.952 0 CA-C-N 123.049 2.125 . . . . 0.53000000000000003 110.966 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -171.98 133.36 0.71 Allowed 'General case' 0 C--N 1.352 0.694 0 CA-C-O 117.334 -1.317 . . . . 0.62 108.534 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -82.29 134.44 35.27 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 105.251 -2.129 . . . . 0.62 105.251 176.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 78.2 mt -76.94 101.39 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.726 0 N-CA-C 104.063 -2.569 . . . . 0.62 104.063 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.5 m -153.01 146.64 18.17 Favored Pre-proline 0 C--N 1.356 0.863 0 CA-C-N 121.023 1.738 . . . . 0.62 111.046 177.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -68.09 -15.69 43.5 Favored 'Trans proline' 0 C--N 1.361 1.212 0 CA-C-N 122.185 1.816 . . . . 0.53000000000000003 112.17 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.8 t -73.3 -44.61 58.75 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 119.658 1.117 . . . . 0.62 111.972 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.1 t -72.89 156.53 38.78 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.869 -1.062 . . . . 0.62 111.611 -175.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.16 148.56 44.06 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.317 0.962 . . . . 0.70999999999999996 108.462 174.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 10.8 m . . . . . 0 C--N 1.353 0.744 0 CA-C-N 118.197 0.453 . . . . 0.81999999999999995 110.38 176.583 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 29.0 mm . . . . . 0 CA--C 1.509 -0.599 0 CA-C-O 118.393 -0.813 . . . . 0.62 108.889 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.57 158.66 43.67 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 108.936 -0.764 . . . . 0.62 108.936 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.5 m -60.31 -35.01 74.6 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 119.226 -0.99 . . . . 0.81999999999999995 111.969 -176.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.47 -43.41 85.31 Favored Glycine 0 C--N 1.352 1.439 0 CA-C-N 120.377 1.444 . . . . 0.62 112.178 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -58.77 -36.55 74.57 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 118.178 0.989 . . . . 0.68000000000000005 109.569 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.6 t -72.87 -63.78 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.591 0 N-CA-C 109.831 -0.433 . . . . 0.62 109.831 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 m -46.8 -48.35 20.77 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 118.008 0.367 . . . . 0.62 111.027 -175.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.0 p -55.33 -55.59 29.8 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 118.383 -0.818 . . . . 0.62 112.195 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -63.53 -34.42 77.74 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 120.929 1.695 . . . . 0.68000000000000005 111.057 178.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.44 -0.32 19.67 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 116.812 -1.566 . . . . 0.62 111.78 177.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.69 -52.44 60.61 Favored Pre-proline 0 C--N 1.356 0.87 0 CA-C-N 123.154 2.706 . . . . 0.62 113.529 -174.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.23 -27.8 48.32 Favored 'Trans proline' 0 C--N 1.364 1.346 0 CA-C-N 123.196 2.177 . . . . 0.53000000000000003 110.654 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 83.8 m -65.35 -51.05 63.12 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 108.603 -0.888 . . . . 0.81999999999999995 108.603 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.5 mt -48.35 -42.2 30.76 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 120.035 -0.666 . . . . 0.62 110.606 176.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.63 -36.44 73.45 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 119.391 -0.924 . . . . 0.62 111.342 177.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -58.17 -36.92 73.75 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.545 1.066 . . . . 0.62 110.897 172.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.2 mt -60.89 -36.21 78.64 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 119.879 -0.728 . . . . 0.62 110.979 177.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -70.43 1.99 4.41 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 117.069 -1.443 . . . . 0.76000000000000001 113.284 174.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 48.81 40.87 17.26 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 122.354 2.343 . . . . 0.68000000000000005 109.307 -169.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.8 m -126.86 -60.5 1.22 Allowed 'General case' 0 C--N 1.358 0.97 0 CA-C-O 118.032 -0.985 . . . . 0.62 110.349 -178.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -96.46 145.39 17.81 Favored Glycine 0 C--N 1.356 1.683 0 CA-C-O 116.885 -2.064 . . . . 0.62 110.626 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -77.73 163.79 28.64 Favored 'Trans proline' 0 C--N 1.359 1.11 0 CA-C-N 122.621 3.21 . . . . 0.53000000000000003 111.986 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.9 mt -66.83 -42.1 86.35 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-N 119.068 0.849 . . . . 0.62 110.663 177.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.67 -103.24 0.59 Allowed Glycine 0 C--N 1.351 1.415 0 N-CA-C 109.151 -1.58 . . . . 0.62 109.151 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -122.38 33.0 5.58 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-N 119.31 1.555 . . . . 0.76000000000000001 109.59 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.4 t -62.75 -46.76 86.58 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 118.836 -1.146 . . . . 0.81999999999999995 108.202 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.8 m -48.7 -42.94 36.57 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 118.339 -0.839 . . . . 0.81999999999999995 111.235 -176.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.05 -48.24 87.07 Favored Glycine 0 C--N 1.352 1.445 0 C-N-CA 119.418 -1.373 . . . . 0.62 110.381 176.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.86 -36.44 93.39 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-N 118.607 1.203 . . . . 0.62 112.25 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.7 t -62.64 -55.11 25.83 Favored 'Isoleucine or valine' 0 C--N 1.355 0.815 0 N-CA-C 105.676 -1.972 . . . . 0.62 105.676 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -53.11 -42.53 66.08 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-O 118.886 -0.578 . . . . 0.62 112.126 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.44 -45.55 56.0 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 119.928 -0.709 . . . . 0.62 109.94 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.6 mt -70.25 -38.89 75.24 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.243 -0.884 . . . . 0.62 110.987 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.9 t -52.9 -43.02 45.42 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 CA-C-N 120.107 1.321 . . . . 0.62 109.221 -175.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -49.39 -49.45 44.64 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 119.854 -0.739 . . . . 0.68000000000000005 111.579 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.1 p -81.67 -48.64 11.45 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 118.609 -0.71 . . . . 0.62 109.42 -177.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.47 46.27 0.01 OUTLIER 'General case' 0 C--N 1.352 0.679 0 N-CA-C 115.931 1.826 . . . . 0.62 115.931 168.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.39 19.46 2.93 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-N 120.458 1.481 . . . . 0.76000000000000001 112.174 167.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.8 m -106.63 51.8 0.74 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-N 120.389 1.449 . . . . 0.62 109.797 -173.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 m 69.66 -67.74 0.22 Allowed 'General case' 0 C--N 1.353 0.725 0 N-CA-C 113.207 0.817 . . . . 0.62 113.207 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -78.8 -59.41 2.79 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 108.758 -0.83 . . . . 0.70999999999999996 108.758 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.47 -47.73 19.16 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 116.314 -0.403 . . . . 0.70999999999999996 110.203 -174.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -44.9 -51.43 9.69 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 114.61 1.337 . . . . 0.76000000000000001 114.61 172.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -66.41 -36.36 82.64 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 109.62 -0.511 . . . . 0.68000000000000005 109.62 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.9 mm -61.42 -51.83 68.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 107.577 -1.268 . . . . 0.62 107.577 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.13 -52.76 62.24 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-N 119.142 0.883 . . . . 0.62 110.447 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.587 ' SG ' ' CD1' ' A' ' 79' ' ' TYR . 42.6 m -50.93 -49.68 59.25 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 118.947 -1.101 . . . . 0.81999999999999995 110.985 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.9 m -60.7 -49.78 76.12 Favored 'General case' 0 C--N 1.351 0.633 0 N-CA-C 107.987 -1.116 . . . . 0.62 107.987 -173.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 88.9 m -60.31 -47.63 85.2 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-O 118.697 -0.668 . . . . 0.81999999999999995 111.952 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.4 mt -63.53 -46.3 86.62 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 118.578 0.626 . . . . 0.62 109.875 -176.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -46.62 -51.1 16.5 Favored 'General case' 0 C--N 1.346 0.437 0 C-N-CA 120.178 -0.609 . . . . 0.62 109.971 176.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.5 p -70.61 -37.42 73.85 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 118.054 -0.974 . . . . 0.62 111.797 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.4 81.5 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 120.598 1.545 . . . . 0.62 109.958 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.13 -49.07 68.76 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.824 -1.176 . . . . 0.62 107.824 176.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.57 73.95 0.23 Allowed Glycine 0 C--N 1.354 1.535 0 CA-C-N 119.646 1.112 . . . . 0.62 111.088 177.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -175.89 -52.35 0.01 OUTLIER 'General case' 0 C--N 1.355 0.814 0 CA-C-N 118.001 0.901 . . . . 0.62 109.679 -176.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.6 mm -42.96 134.13 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.866 0 CA-C-O 117.865 -1.064 . . . . 0.62 110.372 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.9 t -79.07 -52.99 7.45 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 120.426 1.466 . . . . 0.62 111.395 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.38 44.27 3.27 Favored Glycine 0 C--N 1.357 1.697 0 CA-C-N 119.921 1.237 . . . . 0.62 112.639 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.8 tt -76.98 137.33 22.69 Favored 'Isoleucine or valine' 0 C--N 1.352 0.692 0 CA-C-N 119.19 1.495 . . . . 0.62 110.665 -178.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -104.03 120.22 40.61 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 107.142 -1.429 . . . . 0.68000000000000005 107.142 170.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 tp -57.75 -44.91 86.43 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.949 1.25 . . . . 0.62 109.951 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.87 -40.83 65.86 Favored Glycine 0 C--N 1.354 1.563 0 C-N-CA 119.393 -1.384 . . . . 0.62 111.604 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -72.07 -40.64 68.14 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 118.581 1.19 . . . . 0.62 109.434 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.45 -48.87 78.02 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.244 0.929 . . . . 0.62 110.099 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.87 -22.28 61.54 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 119.377 0.99 . . . . 0.62 111.242 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -84.18 -15.96 68.21 Favored Glycine 0 C--N 1.357 1.737 0 CA-C-O 118.096 -1.391 . . . . 0.62 113.41 173.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.6 tp -58.02 -46.76 99.67 Favored Pre-proline 0 C--N 1.353 0.742 0 CA-C-N 120.792 2.296 . . . . 0.62 112.005 -176.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -60.14 -42.89 39.5 Favored 'Trans proline' 0 CA--C 1.502 -1.079 0 CA-C-N 122.474 1.919 . . . . 0.53000000000000003 111.691 173.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -60.2 -42.55 95.33 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 119.608 -0.837 . . . . 0.62 109.07 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.5 m -64.57 -50.18 68.26 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 107.068 -1.456 . . . . 0.62 107.068 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 82.4 m -89.49 66.07 7.24 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 107.973 -1.121 . . . . 0.81999999999999995 107.973 173.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.02 109.12 0.12 Allowed Glycine 0 C--N 1.352 1.467 0 CA-C-O 117.726 -1.597 . . . . 0.62 113.005 -177.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 13.0 m -145.36 157.22 13.29 Favored 'Isoleucine or valine' 0 C--N 1.356 0.89 0 CA-C-N 119.681 1.74 . . . . 0.62 110.927 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -82.31 64.69 7.09 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 118.355 0.525 . . . . 0.68000000000000005 111.707 -176.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 47.7 pt -102.63 133.65 20.35 Favored Pre-proline 0 C--N 1.356 0.868 0 CA-C-O 116.922 -1.513 . . . . 0.62 110.478 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -86.67 55.43 3.3 Favored 'Trans proline' 0 C--N 1.362 1.276 0 CA-C-N 123.28 2.207 . . . . 0.53000000000000003 112.025 177.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.587 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 18.4 p90 -175.52 146.55 0.79 Allowed 'General case' 0 C--N 1.354 0.77 0 CA-C-O 115.859 -2.019 . . . . 0.62 108.85 178.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -100.46 29.63 4.31 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-N 121.661 2.028 . . . . 0.62 112.912 -176.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.3 mt 50.1 39.55 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.702 0 O-C-N 121.269 -0.894 . . . . 0.62 111.16 -178.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 28.2 t -94.78 131.27 30.91 Favored Pre-proline 0 C--N 1.353 0.721 0 CA-C-O 115.823 -2.037 . . . . 0.62 108.821 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -51.25 -32.02 39.24 Favored 'Trans proline' 0 C--N 1.362 1.276 0 CA-C-N 123.744 2.373 . . . . 0.53000000000000003 114.018 175.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -85.19 -9.31 57.96 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.269 -1.348 . . . . 0.62 114.07 -176.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.5 m -81.17 118.16 22.32 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 121.321 1.873 . . . . 0.62 109.798 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -74.83 129.48 37.76 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 120.079 1.308 . . . . 0.70999999999999996 109.457 173.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 4.0 t . . . . . 0 C--N 1.352 0.697 0 CA-C-N 119.129 0.877 . . . . 0.81999999999999995 109.599 172.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.913 -1.041 . . . . 0.62 109.96 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.7 p -136.18 157.5 46.67 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 120.26 1.391 . . . . 0.62 111.484 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.4 t -64.53 -29.49 70.52 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 117.901 -1.047 . . . . 0.81999999999999995 111.843 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.35 -42.44 64.32 Favored Glycine 0 C--N 1.353 1.475 0 CA-C-N 119.505 1.048 . . . . 0.62 113.111 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -62.68 -46.28 88.9 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 118.389 1.095 . . . . 0.68000000000000005 109.876 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 66.0 t -65.8 -43.33 93.37 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 N-CA-C 107.608 -1.256 . . . . 0.62 107.608 -176.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.3 m -62.22 -47.2 85.49 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 108.004 -1.11 . . . . 0.62 108.004 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.1 t -56.67 -47.5 79.69 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 120.726 -0.39 . . . . 0.62 109.998 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -55.1 -42.81 73.38 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 120.248 -0.581 . . . . 0.68000000000000005 110.801 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 mp -96.79 24.67 5.87 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 118.531 -0.747 . . . . 0.62 112.93 -177.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.52 -51.9 77.53 Favored Pre-proline 0 C--N 1.353 0.752 0 CA-C-N 120.227 1.376 . . . . 0.62 112.241 -174.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.35 -30.95 36.03 Favored 'Trans proline' 0 C--N 1.362 1.281 0 CA-C-N 122.854 2.055 . . . . 0.53000000000000003 110.929 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.6 m -61.26 -39.59 90.9 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 119.696 -0.802 . . . . 0.81999999999999995 109.293 178.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.9 mt -56.31 -44.4 79.87 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.788 1.176 . . . . 0.62 109.086 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.99 -47.17 81.38 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 120.02 -0.672 . . . . 0.62 109.293 176.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -50.53 -43.27 55.94 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 120.116 1.325 . . . . 0.62 111.279 176.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.1 mt -50.48 -39.33 47.85 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.939 -0.704 . . . . 0.62 111.046 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.0 ttt-85 -88.29 27.62 1.21 Allowed 'General case' 0 C--N 1.353 0.754 0 CA-C-O 118.466 -0.778 . . . . 0.76000000000000001 111.475 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 44.93 49.36 9.22 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-N 120.877 1.671 . . . . 0.68000000000000005 111.978 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -137.87 -53.7 0.65 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-O 118.158 -0.925 . . . . 0.62 112.859 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -99.97 145.39 17.35 Favored Glycine 0 C--N 1.356 1.644 0 CA-C-O 115.498 -2.834 . . . . 0.62 109.919 -176.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -71.66 -173.64 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.138 1 CA-C-N 125.122 4.461 . . . . 0.53000000000000003 112.219 177.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -78.48 -43.23 27.54 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 108.572 -0.899 . . . . 0.62 108.572 175.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.68 -128.56 45.19 Favored Glycine 0 C--N 1.353 1.505 0 CA-C-O 118.203 -1.332 . . . . 0.62 111.194 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -90.07 14.25 12.86 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 119.261 1.53 . . . . 0.76000000000000001 112.114 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.9 t -53.02 -43.24 66.37 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 120.306 1.412 . . . . 0.81999999999999995 109.689 174.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 82.6 m -52.31 -40.59 62.06 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.826 -0.749 . . . . 0.81999999999999995 112.779 -175.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.03 -39.8 96.18 Favored Glycine 0 C--N 1.35 1.349 0 C-N-CA 119.184 -1.484 . . . . 0.62 110.499 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.17 -36.46 91.85 Favored Glycine 0 C--N 1.349 1.265 0 C-N-CA 119.921 -1.133 . . . . 0.62 111.915 175.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.11 -44.25 98.78 Favored 'Isoleucine or valine' 0 C--N 1.352 0.679 0 N-CA-C 106.582 -1.636 . . . . 0.62 106.582 177.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -53.68 -45.33 70.29 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 118.524 -0.751 . . . . 0.62 110.309 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.17 -43.44 67.06 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 119.739 1.154 . . . . 0.62 110.083 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 mt -56.9 -33.77 67.23 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 118.665 -1.214 . . . . 0.62 112.631 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.4 t -54.71 -52.56 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.698 0 CA-C-N 120.723 1.601 . . . . 0.62 108.696 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -68.84 -39.4 79.98 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 119.542 -0.863 . . . . 0.68000000000000005 109.29 -177.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.8 t -65.56 -67.3 0.45 Allowed 'General case' 0 C--N 1.356 0.853 0 N-CA-C 106.812 -1.551 . . . . 0.62 106.812 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.39 -48.19 13.53 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 118.264 0.483 . . . . 0.62 110.704 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.7 -12.48 0.07 Allowed 'General case' 0 C--N 1.349 0.577 0 CA-C-O 116.777 -1.582 . . . . 0.76000000000000001 114.749 -177.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.1 m -88.07 39.21 0.89 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-N 121.362 1.892 . . . . 0.62 111.217 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.1 m 59.03 -80.59 0.02 OUTLIER 'General case' 0 C--N 1.356 0.852 0 CA-C-N 120.444 1.475 . . . . 0.62 114.911 172.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.15 -48.83 72.15 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 107.821 -1.177 . . . . 0.70999999999999996 107.821 -173.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.61 -37.97 8.92 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-O 118.827 -0.606 . . . . 0.70999999999999996 111.463 175.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.4 ttp-105 -69.38 -40.83 77.18 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 119.483 1.038 . . . . 0.76000000000000001 112.681 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -56.11 -43.81 78.46 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 107.833 -1.173 . . . . 0.68000000000000005 107.833 176.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.73 -50.55 79.29 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 CA-C-O 118.615 -0.707 . . . . 0.62 110.04 174.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.11 -50.89 68.08 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 119.915 1.234 . . . . 0.62 110.408 -176.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.9 m -57.52 -48.19 79.94 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 119.238 -0.985 . . . . 0.81999999999999995 109.738 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 46.9 m -60.28 -47.44 85.99 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 107.479 -1.304 . . . . 0.62 107.479 -174.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 44.7 t -60.08 -45.71 91.99 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 115.383 -0.826 . . . . 0.81999999999999995 111.728 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.7 mt -70.75 -45.94 63.89 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 109.366 -0.605 . . . . 0.62 109.366 -175.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -54.68 -42.73 71.75 Favored 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 120.756 -0.378 . . . . 0.62 110.149 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.2 m -67.73 -47.67 68.65 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 120.018 -0.673 . . . . 0.62 109.599 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.93 -63.58 1.1 Allowed 'General case' 0 C--N 1.353 0.728 0 N-CA-C 109.41 -0.589 . . . . 0.62 109.41 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.01 -41.38 78.42 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 120.456 -0.498 . . . . 0.62 109.796 -176.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.45 -35.6 73.0 Favored Glycine 0 C--N 1.353 1.513 0 C-N-CA 120.358 -0.925 . . . . 0.62 112.796 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.69 -33.88 74.72 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 119.099 1.449 . . . . 0.62 111.64 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 30.9 mm -69.43 125.31 27.18 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 N-CA-C 108.058 -1.09 . . . . 0.62 108.058 -175.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.4 m -75.56 -51.77 12.13 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-N 120.453 1.479 . . . . 0.62 111.177 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.59 50.71 4.29 Favored Glycine 0 C--N 1.354 1.549 0 CA-C-N 119.535 1.061 . . . . 0.62 110.656 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -85.15 136.32 23.02 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 CA-C-O 117.655 -1.164 . . . . 0.62 109.039 -174.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -104.92 118.98 37.89 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-N 119.831 1.196 . . . . 0.68000000000000005 109.001 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 66.2 tp -56.9 -44.67 82.57 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 118.508 0.595 . . . . 0.62 110.057 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.08 -38.03 65.14 Favored Glycine 0 C--N 1.354 1.541 0 C-N-CA 119.965 -1.112 . . . . 0.62 112.2 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -72.09 -47.3 52.37 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.038 1.419 . . . . 0.62 109.676 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.7 -53.88 17.06 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 119.804 1.184 . . . . 0.62 110.997 173.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.12 -20.04 63.2 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-O 118.434 -0.793 . . . . 0.62 113.054 175.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.2 -26.03 67.21 Favored Glycine 0 C--N 1.35 1.352 0 CA-C-N 120.485 1.493 . . . . 0.62 113.338 173.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.9 mt -51.36 -51.91 64.42 Favored Pre-proline 0 C--N 1.349 0.586 0 CA-C-N 120.42 2.11 . . . . 0.62 113.284 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -59.24 -23.43 69.57 Favored 'Trans proline' 0 C--N 1.366 1.453 0 CA-C-N 124.908 2.789 . . . . 0.53000000000000003 112.037 175.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.0 t -81.5 -54.7 5.22 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 120.199 1.363 . . . . 0.62 109.214 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.2 m -60.86 -47.69 85.22 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 109.762 -0.458 . . . . 0.62 109.762 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 82.3 m -93.9 74.57 4.19 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 106.287 -1.746 . . . . 0.81999999999999995 106.287 172.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -50.14 114.69 2.64 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-O 118.454 -1.192 . . . . 0.62 112.375 176.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.5 m -144.72 -151.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-O 116.784 -1.579 . . . . 0.62 106.917 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -131.32 51.63 2.13 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 122.294 2.316 . . . . 0.68000000000000005 110.301 176.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.2 pt -81.11 128.91 69.23 Favored Pre-proline 0 C--N 1.359 0.986 0 CA-C-O 114.596 -2.621 . . . . 0.62 107.586 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -71.38 38.5 0.34 Allowed 'Trans proline' 0 C--N 1.367 1.535 0 CA-C-N 126.85 3.482 . . . . 0.53000000000000003 116.252 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -163.44 163.76 24.77 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 120.98 1.718 . . . . 0.62 109.058 -177.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . 0.279 19.4 ptmt -108.11 17.49 22.25 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.289 0.993 . . . . 0.62 112.37 -178.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 6.6 mt 61.25 34.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 107.546 -1.279 . . . . 0.62 107.546 170.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.7 m -89.47 135.2 31.29 Favored Pre-proline 0 C--N 1.35 0.595 0 CA-C-O 115.286 -2.292 . . . . 0.62 109.291 -175.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -71.54 68.98 2.78 Favored 'Trans proline' 0 C--N 1.361 1.225 0 CA-C-N 122.989 2.103 . . . . 0.53000000000000003 112.48 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.9 m -169.37 -51.67 0.02 OUTLIER 'General case' 0 C--N 1.351 0.631 0 N-CA-C 108.481 -0.933 . . . . 0.62 108.481 -174.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.2 m -33.19 112.0 0.11 Allowed 'General case' 0 C--N 1.356 0.879 0 O-C-N 123.981 0.8 . . . . 0.62 111.649 172.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -89.8 132.08 35.42 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 107.304 -1.369 . . . . 0.70999999999999996 107.304 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 63.7 m . . . . . 0 C--N 1.353 0.736 0 CA-C-N 120.287 1.403 . . . . 0.81999999999999995 108.734 175.749 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.509 -0.615 0 CA-C-O 119.037 -0.506 . . . . 0.62 110.116 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 m -164.88 135.56 3.98 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 117.821 -1.085 . . . . 0.62 109.892 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 83.0 m -58.32 -33.73 69.82 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 121.19 1.814 . . . . 0.81999999999999995 110.076 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -41.49 -47.67 4.72 Favored Glycine 0 C--N 1.349 1.289 0 C-N-CA 120.362 -0.923 . . . . 0.62 113.487 169.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -61.51 -40.42 94.55 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 118.869 1.334 . . . . 0.68000000000000005 108.81 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.6 t -72.23 -55.43 13.3 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 N-CA-C 108.008 -1.108 . . . . 0.62 108.008 -168.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.8 t -54.41 -39.28 67.13 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 121.309 -0.87 . . . . 0.62 111.471 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.1 p -69.33 -49.11 58.68 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 119.167 0.894 . . . . 0.62 109.76 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -56.87 -37.24 71.06 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 120.042 1.292 . . . . 0.68000000000000005 111.112 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.75 0.99 5.94 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 116.288 -1.815 . . . . 0.62 113.921 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.28 -53.03 7.13 Favored Pre-proline 0 C--N 1.356 0.869 0 CA-C-N 122.53 2.423 . . . . 0.62 113.887 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -77.63 -22.83 10.25 Favored 'Trans proline' 0 C--N 1.356 0.951 0 CA-C-N 123.168 2.167 . . . . 0.53000000000000003 112.103 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.3 m -71.58 -55.77 7.16 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 107.747 -1.205 . . . . 0.81999999999999995 107.747 -177.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 pp -45.12 -38.61 5.25 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.762 -0.775 . . . . 0.62 111.403 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.98 -45.39 81.83 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.872 -0.731 . . . . 0.62 109.163 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -58.71 -46.19 87.88 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 120.593 0.235 . . . . 0.62 111.018 175.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.8 mt -60.68 -29.95 69.62 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 121.139 -0.976 . . . . 0.62 111.046 -177.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -72.3 4.08 4.05 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.282 -1.342 . . . . 0.76000000000000001 114.104 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 57.15 34.42 24.83 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 122.352 2.342 . . . . 0.68000000000000005 110.218 -172.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.7 m -127.71 -63.37 1.03 Allowed 'General case' 0 C--N 1.357 0.898 0 CA-C-O 118.432 -0.794 . . . . 0.62 110.498 -177.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.91 167.89 32.32 Favored Glycine 0 C--N 1.354 1.558 0 CA-C-O 117.311 -1.827 . . . . 0.62 111.043 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -88.82 -178.66 1.97 Allowed 'Trans proline' 0 C--N 1.358 1.03 0 CA-C-N 121.322 2.561 . . . . 0.53000000000000003 113.285 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -50.08 -51.72 40.44 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 112.191 0.441 . . . . 0.62 112.191 176.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.38 -130.66 51.32 Favored Glycine 0 C--N 1.348 1.242 0 CA-C-O 117.744 -1.587 . . . . 0.62 110.72 -177.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.2 mtm-85 -95.2 26.76 3.57 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 120.324 2.062 . . . . 0.76000000000000001 110.557 177.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 27.0 t -58.97 -48.2 82.39 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 119.572 1.078 . . . . 0.81999999999999995 108.459 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.1 t -59.95 -39.06 84.28 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 119.157 -1.017 . . . . 0.81999999999999995 110.869 -175.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.34 -46.2 94.38 Favored Glycine 0 C--N 1.353 1.483 0 N-CA-C 109.874 -1.291 . . . . 0.62 109.874 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.71 -50.55 64.47 Favored Glycine 0 C--N 1.351 1.414 0 C-N-CA 119.303 -1.427 . . . . 0.62 110.037 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.0 t -56.3 -51.22 66.17 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 N-CA-C 107.217 -1.401 . . . . 0.62 107.217 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -49.69 -46.19 49.75 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 119.154 0.888 . . . . 0.62 111.18 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.57 -37.66 65.76 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 120.088 -0.645 . . . . 0.62 110.764 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 21.7 mt -72.05 -38.23 69.52 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 109.962 -0.384 . . . . 0.62 109.962 -177.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.9 t -50.08 -48.0 23.79 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 N-CA-C 107.755 -1.202 . . . . 0.62 107.755 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -57.89 -40.94 81.48 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 118.406 -0.807 . . . . 0.68000000000000005 110.64 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.1 m -98.9 38.97 1.31 Allowed 'General case' 0 C--N 1.357 0.906 0 CA-C-N 118.71 0.686 . . . . 0.62 109.408 173.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -150.33 48.64 0.9 Allowed 'General case' 0 C--N 1.355 0.83 0 C-N-CA 119.841 -0.744 . . . . 0.62 109.884 175.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.85 -46.5 0.36 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-O 117.275 -1.345 . . . . 0.76000000000000001 112.298 179.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.441 ' OG1' ' OD2' ' A' ' 43' ' ' ASP . 2.8 p -60.88 72.4 0.01 OUTLIER 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.987 1.267 . . . . 0.62 111.794 172.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.0 m 46.6 -83.06 0.01 OUTLIER 'General case' 0 C--N 1.354 0.774 0 N-CA-C 116.346 1.98 . . . . 0.62 116.346 169.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -65.93 -46.2 79.09 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 120.791 1.632 . . . . 0.70999999999999996 106.633 -175.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.441 ' OD2' ' OG1' ' A' ' 40' ' ' THR . 21.3 m-20 -51.7 -50.64 60.11 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.248 -0.981 . . . . 0.70999999999999996 109.972 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -51.03 48.6 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 112.749 0.648 . . . . 0.76000000000000001 112.749 174.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -66.09 -42.67 89.01 Favored 'General case' 0 CA--C 1.513 -0.47 0 O-C-N 121.178 -0.951 . . . . 0.68000000000000005 111.295 -174.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.7 mm -66.15 -47.74 83.7 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 108.219 -1.03 . . . . 0.62 108.219 -177.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.0 -52.37 65.53 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.621 1.101 . . . . 0.62 108.337 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.415 ' C ' ' SG ' ' A' ' 87' ' ' CYS . 26.9 t -51.88 -41.24 61.75 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 118.926 -0.559 . . . . 0.81999999999999995 111.317 176.205 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 90.7 m -65.27 -45.56 84.01 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.463 1.029 . . . . 0.62 109.839 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.0 m -66.14 -39.89 90.18 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 121.057 -1.027 . . . . 0.81999999999999995 111.014 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.8 mt -60.9 -45.84 93.0 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 107.81 -1.181 . . . . 0.62 107.81 178.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -52.98 -43.99 66.83 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 109.666 -0.494 . . . . 0.62 109.666 175.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.2 m -66.51 -44.97 81.09 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-O 119.346 -0.359 . . . . 0.62 110.624 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.71 -50.03 69.3 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 109.017 -0.734 . . . . 0.62 109.017 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.3 -47.69 78.17 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 119.093 -1.043 . . . . 0.62 108.616 -177.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.72 -36.81 88.07 Favored Glycine 0 C--N 1.356 1.668 0 C-N-CA 120.171 -1.014 . . . . 0.62 112.822 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.81 -39.18 84.01 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.313 1.557 . . . . 0.62 112.464 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.2 mt -71.95 131.82 34.16 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 CA-C-O 118.452 -0.785 . . . . 0.62 110.3 -172.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 m -73.69 -54.57 7.8 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 120.015 1.28 . . . . 0.62 112.728 -175.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -89.34 41.35 3.02 Favored Glycine 0 C--N 1.356 1.662 0 CA-C-N 119.714 1.143 . . . . 0.62 112.004 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.41 122.25 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.745 0 CA-C-N 118.129 0.964 . . . . 0.62 110.533 -175.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -89.34 118.22 28.86 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 120.099 1.318 . . . . 0.68000000000000005 108.664 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.4 tt -55.25 -52.97 61.7 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 118.717 0.689 . . . . 0.62 109.455 -175.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.18 -39.47 81.21 Favored Glycine 0 C--N 1.351 1.39 0 C-N-CA 120.0 -1.095 . . . . 0.62 114.255 -175.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 69' ' ' LEU . 50.8 mttp -70.22 -47.05 63.16 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 119.023 1.412 . . . . 0.62 107.43 -179.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.34 -58.76 6.49 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 119.831 -0.748 . . . . 0.62 110.555 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.63 -39.7 71.17 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 118.416 0.553 . . . . 0.62 112.13 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -85.69 -3.59 85.98 Favored Glycine 0 C--N 1.352 1.46 0 CA-C-O 118.624 -1.098 . . . . 0.62 113.469 176.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 65' ' ' LYS . 34.8 tp -50.16 -47.82 81.07 Favored Pre-proline 0 C--N 1.351 0.662 0 CA-C-N 120.042 1.921 . . . . 0.62 112.542 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -59.46 -27.61 85.42 Favored 'Trans proline' 0 C--N 1.364 1.362 0 CA-C-N 124.214 2.541 . . . . 0.53000000000000003 112.61 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.3 m -70.71 -47.33 60.36 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 119.181 -1.008 . . . . 0.62 109.15 176.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.9 m -58.26 -49.22 77.89 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.847 -0.741 . . . . 0.62 109.391 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 40.1 t -100.6 79.32 2.08 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 106.737 -1.579 . . . . 0.81999999999999995 106.737 173.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -34.44 110.29 0.06 OUTLIER Glycine 0 C--N 1.353 1.479 0 CA-C-O 117.895 -1.503 . . . . 0.62 113.448 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.4 m -142.23 154.2 18.57 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 CA-C-N 119.478 1.639 . . . . 0.62 109.591 176.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -90.47 54.27 2.68 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.931 1.241 . . . . 0.68000000000000005 111.405 -175.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 31.0 pt -91.42 123.87 62.73 Favored Pre-proline 0 C--N 1.353 0.754 0 CA-C-O 115.502 -2.189 . . . . 0.62 107.275 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -90.34 61.13 1.66 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 CA-C-N 125.06 2.843 . . . . 0.53000000000000003 109.539 176.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -161.8 158.01 24.99 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 118.674 -0.679 . . . . 0.62 109.792 172.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -98.47 143.04 29.33 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 107.598 -1.26 . . . . 0.62 107.598 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 93.0 mt -85.15 74.84 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.721 0 N-CA-C 106.18 -1.785 . . . . 0.62 106.18 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.1 m -125.72 142.73 42.92 Favored Pre-proline 0 C--N 1.359 0.98 0 CA-C-O 115.566 -2.159 . . . . 0.62 110.936 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -73.7 67.55 4.69 Favored 'Trans proline' 0 C--N 1.361 1.212 0 CA-C-N 124.085 2.495 . . . . 0.53000000000000003 110.271 176.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.9 t -163.1 -59.74 0.04 OUTLIER 'General case' 0 C--N 1.355 0.804 0 CA-C-N 118.077 0.399 . . . . 0.62 110.678 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.9 t -44.72 145.57 0.89 Allowed 'General case' 0 C--N 1.356 0.863 0 CA-C-O 118.913 -0.565 . . . . 0.62 112.345 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -86.49 152.95 22.23 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 118.978 0.808 . . . . 0.70999999999999996 109.162 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.415 ' SG ' ' C ' ' A' ' 48' ' ' CYS . 61.4 m . . . . . 0 C--N 1.356 0.876 0 CA-C-N 118.146 0.43 . . . . 0.81999999999999995 110.545 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.284 0 CA-C-O 117.683 -1.151 . . . . 0.62 110.637 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -77.77 142.9 13.55 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 CA-C-O 118.065 -0.969 . . . . 0.62 108.502 -178.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -155.33 142.68 19.47 Favored 'General case' 0 C--N 1.36 1.022 0 CA-C-N 120.325 1.42 . . . . 0.62 111.251 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.3 t -55.06 -35.83 64.95 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.399 1.454 . . . . 0.81999999999999995 112.302 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -48.55 -43.88 28.71 Favored Glycine 0 C--N 1.353 1.48 0 CA-C-N 119.51 1.05 . . . . 0.62 113.315 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -70.12 -42.9 72.0 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 108.065 -1.087 . . . . 0.68000000000000005 108.065 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 52.6 t -63.55 -48.72 85.59 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 C-N-CA 119.995 -0.682 . . . . 0.62 110.114 -175.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.3 t -63.06 -21.85 66.45 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 113.171 0.804 . . . . 0.62 113.171 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m -64.45 -49.51 71.16 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 119.503 1.047 . . . . 0.62 108.249 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -60.84 -30.34 70.05 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.582 -0.723 . . . . 0.68000000000000005 112.184 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 12' ' ' ALA . 59.7 mt -70.94 -4.71 26.01 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-O 115.735 -2.078 . . . . 0.62 112.899 178.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' LEU . . . -40.71 -49.5 7.32 Favored Pre-proline 0 C--N 1.356 0.851 0 CA-C-N 122.273 2.306 . . . . 0.62 112.857 -175.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -72.95 -30.42 11.06 Favored 'Trans proline' 0 C--N 1.36 1.145 0 CA-C-N 122.935 2.084 . . . . 0.53000000000000003 112.074 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.6 m -66.6 -50.63 62.42 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 108.21 -1.033 . . . . 0.81999999999999995 108.21 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.1 mt -42.39 -41.34 2.83 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 118.139 0.427 . . . . 0.62 110.303 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.36 -47.35 64.6 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 121.503 -0.748 . . . . 0.62 110.413 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -58.07 -39.22 77.98 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 121.756 -0.59 . . . . 0.62 112.398 175.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.5 mt -56.94 -36.08 69.83 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 118.814 -0.613 . . . . 0.62 110.486 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -81.61 11.25 4.87 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 118.008 -0.996 . . . . 0.76000000000000001 112.25 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.4 t30 49.56 49.26 20.25 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 120.969 1.713 . . . . 0.68000000000000005 110.853 -175.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 t -140.9 -51.18 0.45 Allowed 'General case' 0 C--N 1.356 0.858 0 CA-C-O 117.302 -1.333 . . . . 0.62 113.605 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.94 157.31 19.2 Favored Glycine 0 C--N 1.357 1.709 0 CA-C-N 121.316 1.871 . . . . 0.62 108.869 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -71.18 165.5 32.21 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 CA-C-N 120.54 2.17 . . . . 0.53000000000000003 112.632 -175.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.6 mp -62.15 -44.43 96.63 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.487 -0.768 . . . . 0.62 109.671 177.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 53.93 -119.96 13.21 Favored Glycine 0 C--N 1.35 1.351 0 CA-C-O 117.749 -1.584 . . . . 0.62 110.658 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -89.63 23.43 2.65 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.266 2.033 . . . . 0.76000000000000001 112.451 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.8 t -60.61 -46.88 88.62 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 121.349 1.886 . . . . 0.81999999999999995 108.799 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.0 m -60.73 -46.02 92.05 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 118.725 -1.19 . . . . 0.81999999999999995 110.376 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.69 -44.55 96.82 Favored Glycine 0 C--N 1.351 1.412 0 C-N-CA 119.486 -1.34 . . . . 0.62 111.238 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.48 -51.99 55.51 Favored Glycine 0 C--N 1.35 1.355 0 C-N-CA 119.508 -1.33 . . . . 0.62 110.059 178.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.71 -48.48 88.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 C-N-CA 119.516 -0.874 . . . . 0.62 109.144 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -42.15 -45.8 4.15 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 118.565 0.621 . . . . 0.62 110.953 175.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.47 81.79 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 119.568 -0.853 . . . . 0.62 109.257 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.6 mt -55.16 -46.98 75.76 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-O 118.075 -0.964 . . . . 0.62 109.359 -177.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.7 t -39.61 -49.02 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.687 0 CA-C-N 118.474 0.579 . . . . 0.62 110.162 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -61.68 -42.64 99.19 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 118.88 0.764 . . . . 0.68000000000000005 110.031 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.5 t -84.31 33.63 0.51 Allowed 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.821 -0.609 . . . . 0.62 110.535 169.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.13 33.16 1.1 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-N 119.302 0.956 . . . . 0.62 112.021 174.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.2 mmm-85 -129.58 -14.91 4.08 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 116.278 -1.82 . . . . 0.76000000000000001 115.395 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.85 47.31 0.62 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-N 122.978 2.627 . . . . 0.62 111.172 176.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 62.5 m 62.84 -62.3 0.12 Allowed 'General case' 0 C--N 1.357 0.916 0 N-CA-C 115.329 1.603 . . . . 0.62 115.329 174.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -84.52 -50.91 7.3 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 119.86 1.209 . . . . 0.70999999999999996 108.949 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -42.42 -49.04 5.27 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.746 1.157 . . . . 0.70999999999999996 109.897 173.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -49.27 -54.56 16.27 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 113.233 0.827 . . . . 0.76000000000000001 113.233 171.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -58.77 -42.92 90.11 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 119.643 -0.823 . . . . 0.68000000000000005 109.825 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.3 mm -58.25 -48.99 83.3 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 C-N-CA 119.27 -0.972 . . . . 0.62 109.795 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.96 -50.9 71.8 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 119.316 -0.954 . . . . 0.62 110.019 177.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 82.7 m -50.06 -54.55 19.62 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 120.252 1.387 . . . . 0.81999999999999995 110.35 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.4 t -62.61 -39.89 95.21 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 119.654 -0.819 . . . . 0.62 110.057 -175.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 41.3 t -62.22 -42.78 99.62 Favored 'General case' 0 CA--C 1.504 -0.805 0 C-N-CA 119.347 -0.941 . . . . 0.81999999999999995 110.374 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.9 mt -67.35 -50.29 60.49 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 119.22 -0.992 . . . . 0.62 109.062 -177.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -47.1 -46.38 22.79 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 109.059 -0.719 . . . . 0.62 109.059 175.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.0 m -63.21 -44.49 95.18 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 119.688 -0.805 . . . . 0.62 109.379 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.97 -53.84 50.51 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.895 0.771 . . . . 0.62 109.309 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.09 -52.13 53.3 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.999 -0.68 . . . . 0.62 109.902 177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.07 -32.57 59.85 Favored Glycine 0 C--N 1.353 1.484 0 C-N-CA 119.777 -1.202 . . . . 0.62 112.666 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.25 -37.79 84.1 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 119.144 1.472 . . . . 0.62 111.168 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.9 mm -63.56 139.46 21.26 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 118.718 0.69 . . . . 0.62 111.024 -175.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.8 p -74.79 -74.55 0.19 Allowed 'General case' 0 C--N 1.36 1.03 0 CA-C-N 119.149 0.886 . . . . 0.62 111.759 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.24 51.95 3.98 Favored Glycine 0 C--N 1.353 1.493 0 CA-C-N 119.828 1.195 . . . . 0.62 111.914 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.29 131.85 33.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.625 0 CA-C-O 118.059 -0.972 . . . . 0.62 112.391 -171.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -93.63 109.16 20.8 Favored 'General case' 0 C--N 1.358 0.948 0 N-CA-C 107.73 -1.211 . . . . 0.68000000000000005 107.73 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.33 -42.36 99.32 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 119.011 0.823 . . . . 0.62 110.365 -173.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.42 -44.9 96.28 Favored Glycine 0 C--N 1.351 1.387 0 C-N-CA 119.783 -1.198 . . . . 0.62 111.816 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 69' ' ' LEU . 65.3 mttm -68.48 -39.92 81.16 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 119.31 1.555 . . . . 0.62 109.547 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.38 -56.62 18.06 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 119.31 0.959 . . . . 0.62 109.735 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.32 -34.8 75.85 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.997 -1.064 . . . . 0.62 110.63 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -89.04 -0.9 80.3 Favored Glycine 0 C--N 1.356 1.693 0 CA-C-O 118.257 -1.301 . . . . 0.62 114.566 177.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' LYS . 10.4 tp -48.95 -54.88 23.84 Favored Pre-proline 0 C--N 1.352 0.704 0 CA-C-N 120.774 2.287 . . . . 0.62 111.9 174.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.02 -29.46 57.06 Favored 'Trans proline' 0 C--N 1.358 1.067 0 CA-C-N 123.934 2.441 . . . . 0.53000000000000003 109.041 -175.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.3 t -65.19 -39.65 93.13 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.648 1.113 . . . . 0.62 108.684 176.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 50.4 m -69.4 -49.85 51.45 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 108.42 -0.956 . . . . 0.62 108.42 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 74' ' ' GLY . 97.5 m -90.54 70.19 6.84 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-O 116.746 -1.597 . . . . 0.81999999999999995 107.822 172.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 73' ' ' CYS . . . -29.01 110.45 0.03 OUTLIER Glycine 0 C--N 1.349 1.258 0 CA-C-N 120.587 1.54 . . . . 0.62 114.64 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -143.25 152.7 16.7 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 CA-C-N 119.527 1.663 . . . . 0.62 109.625 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -89.22 63.46 6.55 Favored 'General case' 0 C--N 1.36 1.055 0 CA-C-O 117.87 -1.062 . . . . 0.68000000000000005 111.404 -175.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.455 ' HB ' ' CE2' ' A' ' 79' ' ' TYR . 22.2 pt -102.67 126.77 31.87 Favored Pre-proline 0 C--N 1.352 0.703 0 CA-C-O 116.727 -1.606 . . . . 0.62 109.118 175.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -87.99 58.99 3.03 Favored 'Trans proline' 0 C--N 1.359 1.081 0 CA-C-N 123.562 2.308 . . . . 0.53000000000000003 111.219 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.455 ' CE2' ' HB ' ' A' ' 77' ' ' ILE . 51.2 p90 -169.07 151.91 4.93 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 117.354 -1.307 . . . . 0.62 107.588 172.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -95.35 148.81 22.04 Favored 'General case' 0 C--N 1.35 0.619 0 N-CA-C 107.537 -1.282 . . . . 0.62 107.537 -175.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 27.0 mt -90.45 83.84 2.15 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 N-CA-C 107.113 -1.44 . . . . 0.62 107.113 -171.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.3 p -150.4 144.84 17.83 Favored Pre-proline 0 C--N 1.357 0.896 0 CA-C-O 116.916 -1.516 . . . . 0.62 111.808 -174.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -80.13 71.37 7.09 Favored 'Trans proline' 0 C--N 1.358 1.056 0 CA-C-N 122.091 1.783 . . . . 0.53000000000000003 110.593 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.1 m -159.28 -58.65 0.07 Allowed 'General case' 0 C--N 1.353 0.718 0 N-CA-C 109.191 -0.67 . . . . 0.62 109.191 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.5 t -52.37 136.4 31.35 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 118.582 -0.723 . . . . 0.62 111.712 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -82.07 147.2 29.24 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 107.16 -1.422 . . . . 0.70999999999999996 107.16 171.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 4.4 t -111.78 -31.47 6.95 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.974 -1.489 . . . . 0.81999999999999995 113.516 170.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 91.7 p -45.52 -35.07 3.62 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 120.707 1.594 . . . . 0.62 114.201 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -91.92 18.27 8.07 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 120.264 1.393 . . . . 0.62 112.938 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 73.1 t -83.28 120.36 34.38 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 CA-C-N 121.342 1.883 . . . . 0.62 109.25 -178.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 . . . . . 0 C--O 1.263 1.776 0 CA-C-O 118.479 -0.772 . . . . 0.68000000000000005 110.112 179.811 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.396 0 N-CA-C 108.545 -0.909 . . . . 0.62 108.545 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -81.82 134.27 27.43 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 N-CA-C 109.131 -0.692 . . . . 0.62 109.131 -177.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 m -162.83 141.99 8.84 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 119.621 1.1 . . . . 0.62 111.095 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 59.2 m -57.02 -31.58 65.28 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 121.591 1.996 . . . . 0.81999999999999995 113.767 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.99 -48.73 61.69 Favored Glycine 0 C--N 1.347 1.155 0 CA-C-N 120.536 1.516 . . . . 0.62 112.363 177.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.37 -29.96 71.02 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 118.532 1.166 . . . . 0.68000000000000005 110.415 -178.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.8 t -70.27 -50.1 49.29 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 108.791 -0.818 . . . . 0.62 108.791 178.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.8 m -59.5 -45.28 92.14 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 119.925 -0.71 . . . . 0.62 110.753 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.4 p -62.85 -46.43 87.95 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 119.737 -0.785 . . . . 0.62 109.572 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -56.11 -41.77 75.8 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 119.346 -0.941 . . . . 0.68000000000000005 111.062 176.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.5 mp -89.39 25.2 2.0 Allowed 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.362 -0.828 . . . . 0.62 112.629 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.46 -53.05 68.38 Favored Pre-proline 0 C--N 1.356 0.883 0 CA-C-O 116.688 -1.625 . . . . 0.62 111.492 -178.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -70.15 -29.63 21.74 Favored 'Trans proline' 0 C--N 1.358 1.061 0 CA-C-N 123.626 2.331 . . . . 0.53000000000000003 110.956 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.0 m -61.54 -29.15 69.82 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 117.928 -1.034 . . . . 0.81999999999999995 109.444 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -54.43 -40.25 68.13 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 120.954 1.706 . . . . 0.62 111.285 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.57 -33.13 60.6 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 119.925 -0.71 . . . . 0.62 110.804 177.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -65.66 -35.54 81.06 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 120.531 -0.467 . . . . 0.62 110.65 174.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.9 mt -57.94 -38.62 76.3 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-N 118.889 0.768 . . . . 0.62 111.039 176.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -68.28 -1.99 7.37 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-O 118.241 -0.885 . . . . 0.76000000000000001 113.377 172.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 61.0 t30 53.41 44.77 29.56 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 121.081 1.764 . . . . 0.68000000000000005 110.718 -176.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 t -140.78 -47.51 0.41 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-O 117.402 -1.285 . . . . 0.62 112.646 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.08 154.21 19.49 Favored Glycine 0 C--N 1.36 1.879 0 CA-C-N 121.415 1.916 . . . . 0.62 110.299 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -75.38 142.34 26.63 Favored 'Trans proline' 0 C--N 1.356 0.95 0 CA-C-N 121.329 2.565 . . . . 0.53000000000000003 113.426 -177.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -69.56 -30.53 68.36 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 113.051 0.76 . . . . 0.62 113.051 172.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.47 -120.73 21.37 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-O 118.116 -1.38 . . . . 0.62 112.14 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -95.32 20.27 9.56 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-N 120.025 1.913 . . . . 0.76000000000000001 111.096 -175.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.4 t -53.76 -32.95 54.2 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.925 1.239 . . . . 0.81999999999999995 111.168 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 71.7 m -49.62 -38.88 33.81 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.076 -0.964 . . . . 0.81999999999999995 110.637 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.3 -44.54 89.47 Favored Glycine 0 C--N 1.351 1.371 0 C-N-CA 119.172 -1.49 . . . . 0.62 110.791 176.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.11 -43.85 96.62 Favored Glycine 0 C--N 1.35 1.35 0 C-N-CA 119.61 -1.281 . . . . 0.62 111.363 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.54 -52.07 64.05 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 106.574 -1.639 . . . . 0.62 106.574 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -52.25 -43.3 64.28 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 119.149 -0.453 . . . . 0.62 110.701 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.55 -46.51 77.14 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 120.084 -0.647 . . . . 0.62 109.736 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' SER . 91.3 mt -60.01 -41.33 91.92 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 118.625 -0.702 . . . . 0.62 110.09 -177.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.3 t -46.98 -44.92 7.78 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.698 0 CA-C-N 118.646 0.657 . . . . 0.62 110.452 -175.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -53.13 -42.23 65.83 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 119.943 -0.703 . . . . 0.68000000000000005 109.399 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' LEU . 5.1 m -105.15 50.18 0.79 Allowed 'General case' 0 C--N 1.353 0.737 0 O-C-N 123.542 0.526 . . . . 0.62 110.391 172.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.92 38.82 0.6 Allowed 'General case' 0 C--N 1.353 0.74 0 C-N-CA 121.187 -0.205 . . . . 0.62 111.205 170.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.0 mmm-85 -139.38 9.37 2.48 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 114.892 1.441 . . . . 0.76000000000000001 114.892 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.8 m -107.58 45.31 1.01 Allowed 'General case' 0 C--N 1.356 0.889 0 CA-C-N 120.972 1.715 . . . . 0.62 108.206 177.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.6 m 66.8 -68.34 0.14 Allowed 'General case' 0 C--N 1.353 0.748 0 N-CA-C 113.485 0.92 . . . . 0.62 113.485 176.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -69.56 -55.65 9.53 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 120.088 1.313 . . . . 0.70999999999999996 108.853 -174.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -54.0 -42.08 68.67 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 119.799 -0.76 . . . . 0.70999999999999996 111.402 177.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.45 ' NH2' ' O ' ' A' ' 91' ' ' GLN . 39.5 ttp85 -54.51 -48.82 71.44 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 118.184 -1.406 . . . . 0.76000000000000001 111.899 172.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -60.61 -47.66 85.25 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 120.053 -0.659 . . . . 0.68000000000000005 112.349 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.7 mm -58.49 -45.71 89.98 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 N-CA-C 108.262 -1.014 . . . . 0.62 108.262 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.87 -50.02 70.47 Favored 'General case' 0 CA--C 1.509 -0.6 0 C-N-CA 118.903 -1.119 . . . . 0.62 109.663 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.6 t -48.52 -47.75 38.81 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 118.732 0.696 . . . . 0.81999999999999995 111.329 174.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.3 m -68.39 -48.53 64.45 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 108.639 -0.874 . . . . 0.62 108.639 -173.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 98.0 m -59.52 -43.52 93.4 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 120.436 -0.505 . . . . 0.81999999999999995 111.049 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.7 mt -63.14 -49.51 74.08 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 119.518 -0.873 . . . . 0.62 108.723 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -48.57 -47.15 39.75 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 109.496 -0.557 . . . . 0.62 109.496 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.1 p -72.58 -36.15 68.09 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-O 117.329 -1.32 . . . . 0.62 112.198 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.55 -51.12 63.91 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 121.346 1.885 . . . . 0.62 109.777 175.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.01 -40.01 65.55 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 119.476 -0.89 . . . . 0.62 109.744 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.7 75.07 1.7 Allowed Glycine 0 C--N 1.355 1.613 0 CA-C-O 118.532 -1.149 . . . . 0.62 110.408 -178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 179.8 -49.52 0.01 OUTLIER 'General case' 0 C--N 1.352 0.681 0 CA-C-N 117.687 0.743 . . . . 0.62 110.674 -174.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.6 mt -53.54 141.24 8.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 CA-C-O 117.661 -1.161 . . . . 0.62 108.607 178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.8 t -72.35 -53.28 12.8 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-N 120.994 1.725 . . . . 0.62 112.405 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.66 33.52 3.92 Favored Glycine 0 C--N 1.354 1.546 0 O-C-N 120.934 -1.104 . . . . 0.62 114.488 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.62 132.25 30.44 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.654 0 CA-C-N 120.28 2.04 . . . . 0.62 111.194 -179.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -97.61 107.94 20.55 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 119.998 1.272 . . . . 0.68000000000000005 109.149 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.4 tp -47.65 -45.97 28.47 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 112.64 0.607 . . . . 0.62 112.64 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.01 -35.48 64.24 Favored Glycine 0 C--N 1.351 1.382 0 C-N-CA 119.69 -1.243 . . . . 0.62 112.247 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -69.46 -50.75 42.51 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.162 1.481 . . . . 0.62 108.611 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.79 -55.05 12.67 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 119.647 -0.821 . . . . 0.62 109.916 176.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.6 -31.91 69.92 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 117.791 -1.1 . . . . 0.62 112.883 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -86.59 7.23 80.23 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-O 117.597 -1.668 . . . . 0.62 115.083 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.06 -41.6 45.68 Favored Pre-proline 0 C--N 1.353 0.723 0 CA-C-N 122.335 3.068 . . . . 0.62 112.632 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -61.82 -31.76 85.46 Favored 'Trans proline' 0 C--N 1.361 1.185 0 CA-C-N 124.997 2.82 . . . . 0.53000000000000003 108.863 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.4 t -64.82 -51.85 59.94 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 119.065 -1.054 . . . . 0.62 109.007 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.6 m -64.83 -38.14 89.97 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 119.886 -0.725 . . . . 0.62 111.119 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 75' ' ' VAL . 69.9 m -108.78 80.42 1.33 Allowed 'General case' 0 C--N 1.349 0.556 0 N-CA-C 108.471 -0.937 . . . . 0.81999999999999995 108.471 172.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.34 77.49 0.01 OUTLIER Glycine 0 C--N 1.355 1.616 0 CA-C-O 119.299 -0.723 . . . . 0.62 112.276 177.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' CYS . 21.9 m -105.42 -159.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 107.337 -1.357 . . . . 0.62 107.337 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -112.35 67.1 0.65 Allowed 'General case' 0 C--N 1.356 0.885 0 CA-C-N 121.062 1.756 . . . . 0.68000000000000005 110.68 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.4 pt -112.08 132.02 22.23 Favored Pre-proline 0 C--N 1.358 0.961 0 CA-C-O 116.547 -1.692 . . . . 0.62 109.267 176.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -77.38 -36.38 1.32 Allowed 'Trans proline' 0 C--N 1.362 1.254 0 CA-C-N 122.945 2.087 . . . . 0.53000000000000003 111.666 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -71.87 158.23 36.44 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 108.685 -0.857 . . . . 0.62 108.685 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -106.06 34.22 3.44 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 120.649 -0.42 . . . . 0.62 110.72 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.5 mt 47.14 40.35 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.627 0 CA-C-O 118.833 -0.603 . . . . 0.62 111.861 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.8 m -98.25 141.2 22.56 Favored Pre-proline 0 C--N 1.35 0.591 0 CA-C-O 116.236 -1.84 . . . . 0.62 111.025 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -72.22 67.68 3.41 Favored 'Trans proline' 0 C--N 1.363 1.296 0 CA-C-N 122.8 2.036 . . . . 0.53000000000000003 111.161 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -165.42 -53.43 0.03 OUTLIER 'General case' 0 C--N 1.352 0.685 0 CA-C-O 119.296 -0.383 . . . . 0.62 110.208 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.5 t -37.52 105.36 0.04 OUTLIER 'General case' 0 C--N 1.354 0.793 0 N-CA-C 114.416 1.265 . . . . 0.62 114.416 176.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -63.49 144.89 56.61 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 120.757 1.617 . . . . 0.70999999999999996 110.268 175.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 91.2 m -139.47 44.65 1.97 Allowed 'General case' 0 C--N 1.358 0.977 0 CA-C-N 119.357 0.981 . . . . 0.81999999999999995 112.492 174.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 61.1 p -93.21 -29.61 15.62 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-O 117.679 -1.153 . . . . 0.62 112.786 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.09 40.86 2.87 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.964 1.711 . . . . 0.62 110.548 177.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 35.0 t -76.9 142.82 13.78 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.616 0 N-CA-C 107.987 -1.116 . . . . 0.62 107.987 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.45 ' O ' ' NH2' ' A' ' 44' ' ' ARG . 76.4 mt-30 . . . . . 0 C--O 1.26 1.631 0 CA-C-O 117.774 -1.108 . . . . 0.68000000000000005 108.598 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.638 0 N-CA-C 112.676 0.621 . . . . 0.62 112.676 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 pp -39.6 150.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.849 0 N-CA-C 113.796 1.036 . . . . 0.62 113.796 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -100.34 167.37 10.45 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 118.043 0.383 . . . . 0.62 111.027 -176.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.9 m -59.77 -38.4 81.74 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 112.668 0.618 . . . . 0.81999999999999995 112.668 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -49.47 -47.39 36.11 Favored Glycine 0 C--N 1.35 1.337 0 C-N-CA 119.572 -1.299 . . . . 0.62 112.817 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -64.09 -43.46 95.33 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 117.981 0.891 . . . . 0.68000000000000005 109.803 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.1 t -57.83 -57.61 9.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 107.095 -1.446 . . . . 0.62 107.095 -175.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.4 m -58.13 -47.02 84.59 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 123.688 0.617 . . . . 0.62 110.791 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.8 m -58.47 -50.9 72.07 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 120.082 -0.647 . . . . 0.62 109.607 -174.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -52.06 -45.61 64.81 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 119.649 -0.82 . . . . 0.68000000000000005 111.594 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.319 4.3 pp -94.31 28.53 2.5 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 112.677 0.621 . . . . 0.62 112.677 -177.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.52 -47.13 98.66 Favored Pre-proline 0 C--N 1.353 0.735 0 CA-C-O 116.422 -1.751 . . . . 0.62 112.384 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -66.13 -28.01 48.89 Favored 'Trans proline' 0 C--N 1.359 1.126 0 CA-C-N 123.932 2.44 . . . . 0.53000000000000003 110.417 -177.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.6 m -60.56 -35.02 75.05 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 118.879 -1.129 . . . . 0.81999999999999995 109.766 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.9 mt -53.87 -48.53 69.94 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 120.515 1.507 . . . . 0.62 107.87 -177.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.78 84.63 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 120.631 -0.428 . . . . 0.62 110.818 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -60.67 -40.48 92.26 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.966 -1.016 . . . . 0.62 111.679 174.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.8 mt -66.05 -40.99 91.4 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.6 1.545 . . . . 0.62 110.432 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -56.62 -26.12 55.0 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 117.942 -1.028 . . . . 0.76000000000000001 110.956 173.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 83.31 59.15 0.01 OUTLIER 'General case' 0 C--N 1.355 0.841 0 CA-C-N 119.727 1.149 . . . . 0.68000000000000005 108.512 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.1 p -148.34 -67.9 0.23 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 109.718 -0.475 . . . . 0.62 109.718 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -91.22 142.09 15.96 Favored Glycine 0 C--N 1.355 1.625 0 CA-C-O 116.397 -2.335 . . . . 0.62 110.069 -176.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -71.74 -168.57 0.37 Allowed 'Trans proline' 0 C--N 1.356 0.94 0 CA-C-N 122.635 3.217 . . . . 0.53000000000000003 112.837 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.86 -36.88 70.26 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.599 -0.889 . . . . 0.62 108.599 -178.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.92 -124.93 37.27 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-O 117.61 -1.661 . . . . 0.62 110.13 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -99.05 25.49 6.7 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 119.68 1.74 . . . . 0.76000000000000001 110.39 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.5 t -60.59 -48.15 83.04 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-N 119.643 1.11 . . . . 0.81999999999999995 108.94 176.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.1 m -51.37 -41.6 60.77 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.895 -1.05 . . . . 0.81999999999999995 112.877 -175.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.49 -51.87 56.21 Favored Glycine 0 C--N 1.351 1.412 0 C-N-CA 119.103 -1.522 . . . . 0.62 110.07 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.87 -39.77 95.91 Favored Glycine 0 C--N 1.352 1.457 0 C-N-CA 119.885 -1.15 . . . . 0.62 111.88 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.55 -60.07 3.33 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 N-CA-C 105.902 -1.888 . . . . 0.62 105.902 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -46.36 -38.62 9.1 Favored 'General case' 0 C--O 1.224 -0.289 0 O-C-N 119.854 -1.779 . . . . 0.62 111.549 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.71 -48.94 70.29 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.439 1.018 . . . . 0.62 112.222 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 pp -60.6 -31.69 70.85 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 120.634 1.561 . . . . 0.62 108.906 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.23 -44.98 96.68 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 CA-C-N 119.395 0.998 . . . . 0.62 111.099 -175.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -53.86 -45.31 70.95 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 108.266 -1.012 . . . . 0.68000000000000005 108.266 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.9 m -89.52 59.64 4.84 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 108.856 -0.794 . . . . 0.62 108.856 172.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.93 -57.4 0.1 Allowed 'General case' 0 C--N 1.349 0.572 0 N-CA-C 106.729 -1.582 . . . . 0.62 106.729 177.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.6 mmm-85 -66.94 66.69 0.06 Allowed 'General case' 0 C--N 1.355 0.818 0 CA-C-N 119.192 0.905 . . . . 0.76000000000000001 112.984 177.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.9 m -140.32 40.99 1.92 Allowed 'General case' 0 C--N 1.351 0.662 0 N-CA-C 106.391 -1.707 . . . . 0.62 106.391 169.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.2 m 62.99 -66.26 0.09 Allowed 'General case' 0 C--N 1.355 0.844 0 N-CA-C 113.746 1.017 . . . . 0.62 113.746 -175.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -78.18 -49.77 13.19 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 119.691 1.132 . . . . 0.70999999999999996 110.238 -171.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -52.12 -50.55 61.46 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 119.396 -0.922 . . . . 0.70999999999999996 109.888 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . 0.273 0.0 OUTLIER -61.13 -33.86 74.07 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 118.161 -0.923 . . . . 0.76000000000000001 111.876 176.387 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -61.62 -42.66 99.19 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 121.455 1.934 . . . . 0.68000000000000005 109.033 177.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.5 mm -71.37 -46.08 66.31 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 N-CA-C 108.199 -1.037 . . . . 0.62 108.199 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.18 -52.06 47.82 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 119.059 0.845 . . . . 0.62 109.144 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.1 t -47.71 -47.94 29.76 Favored 'General case' 0 C--N 1.346 0.452 0 N-CA-C 112.85 0.685 . . . . 0.81999999999999995 112.85 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.9 m -69.16 -47.38 65.13 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 108.392 -0.966 . . . . 0.62 108.392 -177.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.6 m -52.6 -41.5 63.71 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 119.836 -0.745 . . . . 0.81999999999999995 110.62 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.85 -46.67 71.12 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 120.257 -0.577 . . . . 0.62 109.954 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -51.8 -42.98 62.89 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 119.22 -0.992 . . . . 0.62 108.534 175.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.3 m -65.75 -45.16 83.6 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 118.8 -0.619 . . . . 0.62 111.497 176.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.64 -46.01 91.91 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.358 0.981 . . . . 0.62 109.754 -177.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.41 -44.83 77.85 Favored 'General case' 0 C--N 1.351 0.674 0 N-CA-C 109.045 -0.724 . . . . 0.62 109.045 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.24 69.13 1.98 Allowed Glycine 0 C--N 1.353 1.486 0 N-CA-C 110.006 -1.238 . . . . 0.62 110.006 175.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -172.52 -53.85 0.02 OUTLIER 'General case' 0 C--N 1.354 0.783 0 CA-C-N 117.94 0.87 . . . . 0.62 110.596 -178.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.3 mm -47.34 126.4 2.33 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-O 117.969 -1.015 . . . . 0.62 109.004 177.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.7 t -70.5 -44.51 67.48 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 121.07 1.759 . . . . 0.62 114.327 -175.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -102.92 53.56 0.75 Allowed Glycine 0 C--N 1.352 1.453 0 N-CA-C 107.477 -2.249 . . . . 0.62 107.477 -174.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.3 tt -77.08 143.28 13.13 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 CA-C-O 117.741 -1.123 . . . . 0.62 112.264 -170.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -100.37 116.09 31.52 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 107.717 -1.216 . . . . 0.68000000000000005 107.717 172.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.3 tp -57.1 -47.13 81.82 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 118.983 0.81 . . . . 0.62 111.671 -175.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.08 -39.2 94.06 Favored Glycine 0 C--N 1.353 1.491 0 C-N-CA 119.577 -1.297 . . . . 0.62 111.323 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -69.23 -43.31 74.3 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.379 1.589 . . . . 0.62 109.522 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.51 -56.07 13.23 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 119.772 1.169 . . . . 0.62 109.157 173.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.93 -7.63 55.03 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 114.945 1.461 . . . . 0.62 114.945 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.59 -3.32 71.64 Favored Glycine 0 C--N 1.353 1.487 0 CA-C-O 117.462 -1.744 . . . . 0.62 113.423 173.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.403 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 96.6 mt -60.02 -42.45 90.33 Favored Pre-proline 0 C--N 1.354 0.764 0 CA-C-N 121.656 2.728 . . . . 0.62 113.26 179.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 38.1 Cg_exo -57.59 -49.68 12.78 Favored 'Trans proline' 0 C--N 1.357 0.992 0 CA-C-N 123.636 2.334 . . . . 0.53000000000000003 110.24 178.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.1 m -64.86 -43.69 92.14 Favored 'General case' 0 CA--C 1.506 -0.746 0 O-C-N 123.899 0.749 . . . . 0.62 109.679 -175.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.0 m -62.35 -52.22 64.49 Favored 'General case' 0 C--N 1.349 0.578 0 N-CA-C 108.339 -0.986 . . . . 0.62 108.339 -176.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 80.7 m -98.83 69.67 1.82 Allowed 'General case' 0 C--N 1.353 0.745 0 N-CA-C 106.536 -1.653 . . . . 0.81999999999999995 106.536 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -27.06 101.31 0.01 OUTLIER Glycine 0 C--N 1.352 1.469 0 CA-C-O 117.637 -1.646 . . . . 0.62 115.542 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.9 m -139.69 154.85 24.58 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 CA-C-N 119.778 1.789 . . . . 0.62 110.388 177.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -88.71 65.33 7.68 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.296 0.953 . . . . 0.68000000000000005 111.36 -173.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 16.1 pt -101.55 134.4 20.26 Favored Pre-proline 0 C--N 1.355 0.824 0 CA-C-O 115.316 -2.278 . . . . 0.62 110.693 -177.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -66.8 -49.52 1.51 Allowed 'Trans proline' 0 C--N 1.363 1.314 0 CA-C-N 125.054 2.841 . . . . 0.53000000000000003 110.584 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -63.61 153.99 34.18 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.116 -1.421 . . . . 0.62 109.833 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -107.52 27.64 8.93 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.833 1.197 . . . . 0.62 110.809 173.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 mt 52.09 42.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.474 0 CA-C-N 120.297 1.408 . . . . 0.62 110.234 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.8 t -105.52 139.06 19.8 Favored Pre-proline 0 C--N 1.354 0.802 0 CA-C-O 115.274 -2.298 . . . . 0.62 108.448 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.6 70.95 1.98 Allowed 'Trans proline' 0 C--N 1.355 0.876 0 CA-C-N 124.492 2.64 . . . . 0.53000000000000003 110.998 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.2 m -170.76 -53.71 0.02 OUTLIER 'General case' 0 C--N 1.355 0.833 0 CA-C-O 118.779 -0.629 . . . . 0.62 110.472 -175.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.0 t -37.19 116.8 0.48 Allowed 'General case' 0 C--N 1.356 0.863 0 CA-C-O 118.267 -0.873 . . . . 0.62 111.621 178.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -90.2 146.36 24.32 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 120.783 1.629 . . . . 0.70999999999999996 107.461 172.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 57.1 m -143.18 39.75 1.46 Allowed 'General case' 0 C--N 1.353 0.741 0 CA-C-N 118.718 0.69 . . . . 0.81999999999999995 110.759 171.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.67 -15.51 54.3 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-O 117.843 -1.075 . . . . 0.62 109.569 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.05 55.3 0.83 Allowed 'General case' 0 C--N 1.356 0.88 0 CA-C-N 119.975 1.261 . . . . 0.62 108.581 -177.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 25.5 t -60.94 135.71 25.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 CA-C-O 118.188 -0.911 . . . . 0.62 109.584 -176.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 . . . . . 0 C--O 1.263 1.775 0 CA-C-O 117.708 -1.139 . . . . 0.68000000000000005 108.108 175.336 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.188 0 CA-C-O 117.827 -1.082 . . . . 0.62 109.943 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.2 mm -80.52 149.2 5.2 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 N-CA-C 105.687 -1.968 . . . . 0.62 105.687 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.2 p -112.33 149.63 32.16 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 121.951 2.159 . . . . 0.62 112.776 178.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.1 t -65.06 -28.48 69.5 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-O 117.338 -1.315 . . . . 0.81999999999999995 112.221 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.47 -46.04 88.4 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-N 120.504 1.502 . . . . 0.62 111.829 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -61.89 -45.69 92.64 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 117.922 0.861 . . . . 0.68000000000000005 109.395 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.7 t -59.53 -49.56 83.18 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 N-CA-C 106.304 -1.739 . . . . 0.62 106.304 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.0 m -51.1 -46.52 61.86 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 121.748 -0.595 . . . . 0.62 109.855 -176.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.7 m -54.19 -43.62 70.87 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 120.271 -0.571 . . . . 0.62 111.741 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -58.42 -33.74 70.01 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 119.127 0.876 . . . . 0.68000000000000005 112.55 177.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -77.78 -1.02 29.35 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 115.488 -2.196 . . . . 0.62 110.46 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.37 -54.78 5.87 Favored Pre-proline 0 C--N 1.359 0.98 0 CA-C-N 122.509 2.413 . . . . 0.62 112.888 -174.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.08 -22.78 18.98 Favored 'Trans proline' 0 C--N 1.362 1.252 0 CA-C-N 122.011 1.754 . . . . 0.53000000000000003 111.901 -178.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.0 m -73.67 -40.16 63.89 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.962 -1.018 . . . . 0.81999999999999995 108.404 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.1 mt -42.89 -44.02 4.35 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.486 1.039 . . . . 0.62 109.961 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.72 98.32 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 121.794 -0.566 . . . . 0.62 111.273 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -61.97 -39.76 93.25 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 118.772 0.714 . . . . 0.62 110.641 173.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.7 mt -57.5 -34.47 69.1 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 119.1 0.864 . . . . 0.62 109.961 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.5 ttt85 -85.71 22.04 1.72 Allowed 'General case' 0 C--N 1.354 0.781 0 CA-C-O 118.946 -0.55 . . . . 0.76000000000000001 111.893 174.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.3 p30 39.82 29.7 0.05 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-N 121.221 1.828 . . . . 0.68000000000000005 115.309 -174.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.2 m -106.89 -57.65 2.04 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 119.431 1.014 . . . . 0.62 110.204 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.69 153.54 17.46 Favored Glycine 0 C--N 1.354 1.547 0 CA-C-O 117.512 -1.716 . . . . 0.62 110.127 -177.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -72.45 -178.8 3.56 Favored 'Trans proline' 0 C--N 1.357 1.017 0 CA-C-N 121.423 2.612 . . . . 0.53000000000000003 112.755 -178.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mp -74.9 -53.86 8.28 Favored 'General case' 0 C--N 1.351 0.64 0 N-CA-C 109.015 -0.735 . . . . 0.62 109.015 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.58 -120.53 7.78 Favored Glycine 0 C--N 1.354 1.53 0 N-CA-C 110.313 -1.115 . . . . 0.62 110.313 -176.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -76.85 -2.94 35.95 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 119.083 1.442 . . . . 0.76000000000000001 114.479 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.6 t -46.01 -47.74 16.76 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 121.028 1.74 . . . . 0.81999999999999995 109.841 172.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 67.6 m -54.08 -37.61 64.43 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 118.683 0.674 . . . . 0.81999999999999995 111.461 -175.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.22 -48.26 87.0 Favored Glycine 0 C--N 1.351 1.401 0 C-N-CA 119.757 -1.211 . . . . 0.62 110.814 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.05 -47.61 86.1 Favored Glycine 0 C--N 1.353 1.515 0 N-CA-C 108.947 -1.661 . . . . 0.62 108.947 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.4 t -52.15 -44.38 40.46 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 109.094 -0.706 . . . . 0.62 109.094 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -56.73 -47.1 80.76 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 121.625 -0.672 . . . . 0.62 111.003 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.12 -28.22 68.94 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 119.958 1.253 . . . . 0.62 111.656 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 24.4 mt -64.14 -31.52 72.75 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.915 1.234 . . . . 0.62 109.538 175.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.1 t -54.97 -51.25 55.45 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 CA-C-N 120.255 1.389 . . . . 0.62 108.935 177.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -68.49 -39.45 81.29 Favored 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 107.838 -1.171 . . . . 0.68000000000000005 107.838 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 m -79.4 62.1 3.64 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 106.643 -1.614 . . . . 0.62 106.643 172.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -172.24 -54.13 0.02 OUTLIER 'General case' 0 C--N 1.353 0.736 0 N-CA-C 109.366 -0.605 . . . . 0.62 109.366 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . 0.25 1.4 mmp_? -79.09 59.01 2.6 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 121.528 -0.732 . . . . 0.76000000000000001 112.349 174.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 m -147.08 39.87 1.03 Allowed 'General case' 0 C--N 1.358 0.935 0 N-CA-C 107.562 -1.273 . . . . 0.62 107.562 169.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.6 m 52.98 -75.01 0.01 OUTLIER 'General case' 0 C--N 1.356 0.882 0 N-CA-C 115.919 1.822 . . . . 0.62 115.919 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -71.47 -40.66 70.14 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 121.179 1.809 . . . . 0.70999999999999996 108.586 -175.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -45.58 -52.49 10.48 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-O 117.671 -1.157 . . . . 0.70999999999999996 111.732 176.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -35.9 76.15 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-N 121.544 1.975 . . . . 0.76000000000000001 109.785 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -61.89 -41.93 98.47 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 119.098 -1.041 . . . . 0.68000000000000005 108.937 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.0 mm -72.04 -49.44 44.07 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 N-CA-C 108.654 -0.869 . . . . 0.62 108.654 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.34 -63.49 1.13 Allowed 'General case' 0 C--N 1.353 0.732 0 CA-C-N 120.112 1.324 . . . . 0.62 109.842 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.5 p -47.65 -44.19 26.79 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 119.844 1.202 . . . . 0.81999999999999995 113.047 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.5 p -68.24 -48.83 64.07 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-N 119.86 1.209 . . . . 0.62 110.027 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 51.7 t -52.36 -40.58 62.16 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 119.114 -1.035 . . . . 0.81999999999999995 110.567 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.6 mt -77.94 -42.23 33.66 Favored 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 119.849 -0.74 . . . . 0.62 110.208 -175.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -47.04 -48.62 22.18 Favored 'General case' 0 C--N 1.347 0.494 0 N-CA-C 108.576 -0.898 . . . . 0.62 108.576 171.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.5 t -63.35 -48.98 75.69 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.693 -0.67 . . . . 0.62 110.954 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.62 -54.55 40.02 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.587 1.085 . . . . 0.62 109.783 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.56 -51.04 29.68 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.251 -0.648 . . . . 0.62 109.251 -177.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.16 -38.54 94.58 Favored Glycine 0 C--N 1.354 1.56 0 C-N-CA 120.06 -1.066 . . . . 0.62 111.887 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.68 -29.84 69.22 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 118.88 1.34 . . . . 0.62 112.602 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 47.8 mm -61.64 136.84 24.63 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-N 120.31 1.414 . . . . 0.62 110.751 -175.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.9 p -69.06 -53.07 22.33 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 119.406 1.003 . . . . 0.62 113.524 -178.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -99.77 40.83 2.32 Favored Glycine 0 C--N 1.355 1.588 0 CA-C-N 119.317 0.962 . . . . 0.62 110.782 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.9 tp -52.02 122.17 2.41 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-O 117.0 -1.476 . . . . 0.62 112.009 -175.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -100.49 115.51 30.25 Favored 'General case' 0 C--N 1.359 1.009 0 CA-C-N 121.386 1.903 . . . . 0.68000000000000005 108.895 171.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.2 tp -54.13 -45.43 71.93 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-N 118.928 0.786 . . . . 0.62 111.419 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.19 -44.14 93.3 Favored Glycine 0 C--N 1.354 1.576 0 C-N-CA 120.212 -0.994 . . . . 0.62 113.331 -176.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -72.66 -39.74 66.88 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 119.051 1.426 . . . . 0.62 109.244 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.5 -57.29 13.33 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.697 1.135 . . . . 0.62 110.695 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.29 -28.35 66.2 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-O 117.98 -1.009 . . . . 0.62 111.17 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -80.22 1.49 80.53 Favored Glycine 0 C--N 1.354 1.556 0 CA-C-O 117.765 -1.575 . . . . 0.62 113.188 173.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.78 -49.26 90.28 Favored Pre-proline 0 C--N 1.355 0.829 0 CA-C-N 121.161 2.48 . . . . 0.62 110.922 -177.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -65.47 -31.85 50.57 Favored 'Trans proline' 0 C--N 1.365 1.447 0 CA-C-N 124.499 2.642 . . . . 0.53000000000000003 111.281 177.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 m -67.89 -39.07 83.7 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 118.55 0.614 . . . . 0.62 111.552 -178.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 80.4 m -62.27 -40.34 95.9 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 107.907 -1.145 . . . . 0.62 107.907 -177.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.2 m -116.91 88.07 2.83 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 106.664 -1.606 . . . . 0.81999999999999995 106.664 172.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.71 127.65 3.11 Favored Glycine 0 C--N 1.356 1.653 0 CA-C-O 118.465 -1.186 . . . . 0.62 113.224 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -151.42 161.41 3.34 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 CA-C-N 118.725 1.263 . . . . 0.62 107.765 -177.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -84.13 54.52 2.97 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 120.909 1.686 . . . . 0.68000000000000005 110.497 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.0 mt -91.31 120.89 68.28 Favored Pre-proline 0 C--N 1.355 0.813 0 CA-C-O 116.374 -1.774 . . . . 0.62 107.878 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -86.97 65.27 4.42 Favored 'Trans proline' 0 C--N 1.363 1.301 0 CA-C-N 123.616 2.327 . . . . 0.53000000000000003 111.474 177.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . 0.251 23.7 p90 -179.38 146.48 0.28 Allowed 'General case' 0 C--O 1.217 -0.647 0 CA-C-O 118.528 -0.749 . . . . 0.62 109.682 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -112.17 50.27 0.87 Allowed 'General case' 0 C--N 1.353 0.74 0 CA-C-N 120.534 1.516 . . . . 0.62 107.013 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.4 mt 29.75 59.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.349 0.553 0 CA-C-N 114.672 -1.149 . . . . 0.62 113.317 175.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.2 m -83.55 134.58 44.78 Favored Pre-proline 0 C--N 1.352 0.684 0 CA-C-O 116.091 -1.909 . . . . 0.62 109.269 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -65.02 11.97 0.11 Allowed 'Trans proline' 0 C--N 1.363 1.295 0 CA-C-N 123.648 2.338 . . . . 0.53000000000000003 116.209 170.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.5 p -140.95 26.91 2.02 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 121.135 1.789 . . . . 0.62 111.468 176.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.0 t -79.42 146.4 32.81 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 119.893 1.224 . . . . 0.62 112.532 -177.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -88.31 145.08 26.03 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 107.771 -1.196 . . . . 0.70999999999999996 107.771 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 73.8 m -135.48 28.2 3.35 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 119.363 0.983 . . . . 0.81999999999999995 112.739 176.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.9 p -99.74 -31.53 11.5 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 117.319 -1.324 . . . . 0.62 112.937 -172.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.97 49.56 1.55 Allowed 'General case' 0 C--N 1.356 0.85 0 CA-C-N 120.592 1.542 . . . . 0.62 108.078 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 89.5 t -93.99 139.12 18.95 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.68 0 CA-C-O 118.514 -0.755 . . . . 0.62 110.211 -177.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 . . . . . 0 C--O 1.264 1.823 0 N-CA-C 107.633 -1.247 . . . . 0.68000000000000005 107.633 178.72 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 N-CA-C 110.15 -0.315 . . . . 0.62 110.15 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.4 mm -93.38 157.71 2.95 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.755 0 N-CA-C 108.394 -0.965 . . . . 0.62 108.394 -174.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.8 m -143.69 150.27 38.43 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 118.742 0.701 . . . . 0.62 109.419 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.9 m -54.07 -32.41 54.58 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-O 117.918 -1.039 . . . . 0.81999999999999995 113.575 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.85 -50.04 51.91 Favored Glycine 0 C--N 1.351 1.405 0 CA-C-N 120.67 1.577 . . . . 0.62 112.562 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -57.78 -35.1 70.33 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 118.217 1.009 . . . . 0.68000000000000005 110.679 177.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.2 t -75.17 -51.99 19.91 Favored 'Isoleucine or valine' 0 C--N 1.35 0.602 0 N-CA-C 109.257 -0.646 . . . . 0.62 109.257 -172.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 m -56.54 -38.6 72.09 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 118.103 0.411 . . . . 0.62 110.24 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.1 m -65.17 -53.53 43.44 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 120.586 -0.446 . . . . 0.62 110.722 -177.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -60.92 -41.95 97.17 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 119.759 -0.776 . . . . 0.68000000000000005 110.18 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.307 5.5 mp -79.71 18.67 0.74 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.426 -1.273 . . . . 0.62 114.086 179.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.99 -54.02 54.8 Favored Pre-proline 0 C--N 1.353 0.737 0 CA-C-N 121.865 2.12 . . . . 0.62 112.821 -175.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -70.14 -28.57 23.26 Favored 'Trans proline' 0 C--N 1.362 1.287 0 CA-C-N 124.056 2.484 . . . . 0.53000000000000003 110.394 -177.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.6 m -60.56 -38.79 85.71 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 108.697 -0.853 . . . . 0.81999999999999995 108.697 177.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.5 mt -54.95 -44.94 74.78 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 119.88 1.218 . . . . 0.62 109.011 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.98 88.07 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 119.714 -0.795 . . . . 0.62 110.305 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -62.84 -37.96 88.89 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 112.722 0.638 . . . . 0.62 112.722 175.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.44 -40.28 96.08 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 119.224 0.92 . . . . 0.62 109.832 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -65.81 -10.77 40.75 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 118.16 -0.924 . . . . 0.76000000000000001 112.233 175.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.9 t30 63.58 58.82 1.26 Allowed 'General case' 0 C--N 1.356 0.871 0 CA-C-N 120.426 1.466 . . . . 0.68000000000000005 108.846 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -159.87 -49.98 0.05 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.058 -1.448 . . . . 0.62 113.015 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -98.94 147.91 18.65 Favored Glycine 0 C--N 1.359 1.839 0 CA-C-N 121.407 1.912 . . . . 0.62 109.177 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -72.72 136.5 25.68 Favored 'Trans proline' 0 C--N 1.354 0.865 0 CA-C-N 121.418 2.609 . . . . 0.53000000000000003 114.799 -174.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -58.95 -32.59 69.76 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 120.342 1.428 . . . . 0.62 112.083 173.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.15 -132.11 19.17 Favored Glycine 0 C--N 1.348 1.218 0 CA-C-O 117.877 -1.513 . . . . 0.62 113.078 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -91.25 31.24 1.15 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.639 1.72 . . . . 0.76000000000000001 112.241 -177.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 46.5 t -55.12 -39.93 69.94 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 120.126 1.33 . . . . 0.81999999999999995 110.242 175.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.7 m -47.71 -38.58 15.55 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 112.414 0.524 . . . . 0.81999999999999995 112.414 -172.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.09 -51.04 58.29 Favored Glycine 0 C--N 1.35 1.342 0 C-N-CA 119.946 -1.121 . . . . 0.62 111.823 178.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.0 -31.28 80.3 Favored Glycine 0 C--N 1.353 1.482 0 C-N-CA 119.7 -1.238 . . . . 0.62 111.713 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.42 -53.42 47.57 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 N-CA-C 106.898 -1.519 . . . . 0.62 106.898 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -49.89 -48.36 51.48 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 116.549 -0.296 . . . . 0.62 110.935 -176.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.61 -48.04 58.05 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 119.532 -0.867 . . . . 0.62 110.714 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.7 mt -67.61 -28.73 67.99 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 118.293 -0.861 . . . . 0.62 112.863 -177.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.2 t -47.85 -46.82 12.17 Favored 'Isoleucine or valine' 0 C--N 1.348 0.51 0 N-CA-C 107.439 -1.319 . . . . 0.62 107.439 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -55.01 -44.54 74.66 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 109.158 -0.682 . . . . 0.68000000000000005 109.158 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 94.9 p -91.47 47.94 1.43 Allowed 'General case' 0 C--N 1.35 0.595 0 CA-C-O 119.403 -0.332 . . . . 0.62 110.737 171.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -158.89 48.44 0.33 Allowed 'General case' 0 C--N 1.348 0.502 0 N-CA-C 109.228 -0.656 . . . . 0.62 109.228 171.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.85 -41.36 0.15 Allowed 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 117.199 -1.381 . . . . 0.76000000000000001 112.189 -173.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.81 46.31 0.01 OUTLIER 'General case' 0 C--N 1.36 1.031 0 CA-C-N 122.01 2.186 . . . . 0.62 116.543 175.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.7 m 67.46 -57.34 0.44 Allowed 'General case' 0 N--CA 1.478 0.97 0 O-C-N 118.672 -2.517 . . . . 0.62 115.777 176.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -79.87 -67.26 0.78 Allowed 'General case' 0 C--N 1.352 0.702 0 N-CA-C 107.1 -1.445 . . . . 0.70999999999999996 107.1 -177.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 44' ' ' ARG . 3.2 p30 -48.28 -44.96 34.18 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 110.016 -0.364 . . . . 0.70999999999999996 110.016 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.426 ' N ' ' OD1' ' A' ' 43' ' ' ASP . 46.2 ttp180 -42.06 -50.37 4.69 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 113.324 0.861 . . . . 0.76000000000000001 113.324 176.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -76.25 -39.4 54.55 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 109.048 -0.723 . . . . 0.68000000000000005 109.048 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mp -53.95 -50.26 54.47 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-N 118.701 0.682 . . . . 0.62 109.966 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.01 -43.06 79.71 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 108.293 -1.003 . . . . 0.62 108.293 -174.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.2 t -53.03 -55.42 23.81 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 118.357 -0.83 . . . . 0.81999999999999995 110.963 175.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.8 t -65.04 -38.82 92.12 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.431 1.468 . . . . 0.62 111.491 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 94.7 m -60.72 -47.94 84.05 Favored 'General case' 0 CA--C 1.505 -0.756 0 C-N-CA 119.29 -0.964 . . . . 0.81999999999999995 109.583 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.6 mt -66.05 -52.7 46.58 Favored 'General case' 0 CA--C 1.504 -0.804 0 C-N-CA 119.097 -1.041 . . . . 0.62 109.943 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -39.34 -42.88 1.1 Allowed 'General case' 0 C--N 1.344 0.357 0 C-N-CA 120.367 -0.533 . . . . 0.62 110.083 172.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.4 m -71.48 -50.3 32.91 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 118.419 0.554 . . . . 0.62 110.951 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.51 -44.57 80.87 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 118.865 0.757 . . . . 0.62 110.165 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.32 -59.54 4.98 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 108.878 -0.786 . . . . 0.62 108.878 173.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.91 -23.42 61.37 Favored Glycine 0 C--N 1.35 1.339 0 C-N-CA 120.062 -1.066 . . . . 0.62 113.289 -174.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.69 -25.97 67.74 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.539 1.67 . . . . 0.62 112.134 176.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.4 mt -80.4 132.03 32.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 CA-C-N 119.783 1.174 . . . . 0.62 109.168 -174.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.0 m -76.33 -49.33 17.19 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-N 120.21 1.368 . . . . 0.62 109.892 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.49 40.16 2.57 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-N 119.237 0.926 . . . . 0.62 112.406 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.8 tt -64.2 138.64 22.71 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 CA-C-N 119.469 1.635 . . . . 0.62 110.54 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -92.22 123.02 35.25 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.406 1.003 . . . . 0.68000000000000005 109.288 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.7 -50.92 63.11 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 119.269 0.941 . . . . 0.62 109.254 -174.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.67 -43.24 94.48 Favored Glycine 0 C--N 1.351 1.414 0 CA-C-O 118.369 -1.239 . . . . 0.62 111.863 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -70.87 -31.08 67.64 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 119.709 1.755 . . . . 0.62 110.6 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.48 -51.51 68.17 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 120.623 1.556 . . . . 0.62 109.45 171.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.37 -26.63 62.88 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 118.767 -1.173 . . . . 0.62 111.595 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -78.47 -22.3 67.65 Favored Glycine 0 C--N 1.353 1.496 0 CA-C-O 118.47 -1.183 . . . . 0.62 113.061 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.9 tp -49.35 -50.56 64.16 Favored Pre-proline 0 C--N 1.348 0.531 0 CA-C-N 120.61 2.205 . . . . 0.62 113.987 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -64.26 -21.71 67.07 Favored 'Trans proline' 0 C--N 1.357 0.981 0 CA-C-N 124.475 2.634 . . . . 0.53000000000000003 111.866 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.7 t -77.05 -52.95 8.44 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.848 1.204 . . . . 0.62 108.89 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.5 m -60.28 -47.39 86.22 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 109.31 -0.626 . . . . 0.62 109.31 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 38.6 m -92.49 69.33 4.94 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 107.708 -1.219 . . . . 0.81999999999999995 107.708 169.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -31.94 108.51 0.03 OUTLIER Glycine 0 C--N 1.35 1.355 0 CA-C-O 117.988 -1.451 . . . . 0.62 113.625 175.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 m -143.94 155.76 15.77 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 CA-C-N 119.606 1.703 . . . . 0.62 110.618 176.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -88.32 57.47 4.27 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 119.367 0.985 . . . . 0.68000000000000005 110.706 -176.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 13.4 pt -97.28 135.16 21.97 Favored Pre-proline 0 C--N 1.358 0.952 0 CA-C-O 117.19 -1.386 . . . . 0.62 110.193 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -87.54 51.41 2.15 Favored 'Trans proline' 0 C--N 1.357 1.023 0 CA-C-N 122.45 1.911 . . . . 0.53000000000000003 112.173 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -163.67 142.06 7.72 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-O 117.496 -1.24 . . . . 0.62 110.109 176.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -87.94 28.48 1.03 Allowed 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.741 1.609 . . . . 0.62 113.408 -175.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mt 44.69 36.09 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.712 0 O-C-N 120.865 -1.147 . . . . 0.62 110.62 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.2 m -95.43 130.53 31.9 Favored Pre-proline 0 C--N 1.353 0.751 0 CA-C-O 116.086 -1.911 . . . . 0.62 108.022 -171.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -75.18 66.29 6.19 Favored 'Trans proline' 0 C--N 1.363 1.308 0 CA-C-N 124.349 2.589 . . . . 0.53000000000000003 110.77 -178.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.6 p -177.84 -53.14 0.01 OUTLIER 'General case' 0 C--N 1.354 0.773 0 CA-C-O 118.362 -0.828 . . . . 0.62 110.717 -174.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.2 t -42.99 143.54 0.73 Allowed 'General case' 0 C--N 1.357 0.9 0 CA-C-N 119.415 1.007 . . . . 0.62 112.375 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -71.28 127.32 32.18 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 118.258 -0.877 . . . . 0.70999999999999996 108.825 176.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 78.0 m -78.1 -28.37 48.63 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.694 1.134 . . . . 0.81999999999999995 110.343 170.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.4 m -51.64 -45.3 63.27 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 120.193 1.36 . . . . 0.62 113.245 -172.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -89.66 27.21 1.56 Allowed 'General case' 0 C--N 1.357 0.898 0 CA-C-N 120.161 1.346 . . . . 0.62 111.498 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 49.5 t -76.35 117.09 20.43 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 O-C-N 119.444 -2.035 . . . . 0.62 110.198 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 . . . . . 0 C--O 1.259 1.581 0 CA-C-O 118.167 -0.92 . . . . 0.68000000000000005 110.104 177.319 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 118.717 -0.659 . . . . 0.62 110.153 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -48.28 150.94 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.612 0 CA-C-O 118.413 -0.803 . . . . 0.62 112.719 175.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 m -161.69 148.49 14.21 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 120.43 1.468 . . . . 0.62 111.298 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 85.1 m -53.82 -33.59 56.63 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 115.128 1.529 . . . . 0.81999999999999995 115.128 -178.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.01 -50.2 62.88 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-N 120.989 1.722 . . . . 0.62 111.03 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -60.85 -45.11 95.78 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 118.171 0.985 . . . . 0.68000000000000005 109.668 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.6 t -58.41 -56.25 17.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 107.633 -1.247 . . . . 0.62 107.633 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.0 m -59.21 -39.38 82.49 Favored 'General case' 0 C--N 1.347 0.496 0 N-CA-C 109.14 -0.689 . . . . 0.62 109.14 -174.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.1 m -63.62 -52.11 62.31 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 120.225 -0.59 . . . . 0.62 110.218 -179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -53.93 -32.02 52.25 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 119.851 -0.74 . . . . 0.68000000000000005 111.393 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.3 mt -71.16 2.92 3.98 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 116.134 -1.888 . . . . 0.62 113.338 177.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.72 -56.17 9.11 Favored Pre-proline 0 C--N 1.358 0.941 0 CA-C-N 123.508 2.867 . . . . 0.62 115.152 -172.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.33 -15.58 22.47 Favored 'Trans proline' 0 C--N 1.362 1.246 0 CA-C-N 123.776 2.384 . . . . 0.53000000000000003 111.248 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.7 m -73.51 -48.98 29.0 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 119.969 1.259 . . . . 0.81999999999999995 107.656 176.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.8 mt -46.05 -44.6 15.49 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 109.358 -0.608 . . . . 0.62 109.358 178.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.81 -44.95 90.94 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 120.409 -0.516 . . . . 0.62 111.497 177.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -59.69 -45.13 93.02 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.018 0.826 . . . . 0.62 110.192 175.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.4 mt -59.45 -40.69 87.65 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 118.54 0.609 . . . . 0.62 111.333 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -69.21 -5.69 24.3 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-O 117.729 -1.129 . . . . 0.76000000000000001 112.574 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 65.24 59.12 0.84 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.819 1.645 . . . . 0.68000000000000005 109.104 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -160.19 -46.89 0.05 OUTLIER 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.396 -1.288 . . . . 0.62 113.0 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.44 159.37 16.99 Favored Glycine 0 C--N 1.358 1.786 0 CA-C-O 117.341 -1.811 . . . . 0.62 110.914 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -81.14 174.35 10.88 Favored 'Trans proline' 0 C--N 1.358 1.057 0 CA-C-N 121.47 2.635 . . . . 0.53000000000000003 112.237 -178.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mp -64.84 -47.25 78.64 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.893 -0.575 . . . . 0.62 110.186 176.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 51.61 -120.47 10.26 Favored Glycine 0 C--N 1.351 1.38 0 CA-C-O 117.581 -1.677 . . . . 0.62 112.036 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -89.55 18.52 5.3 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-N 120.358 2.079 . . . . 0.76000000000000001 112.391 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.3 t -55.26 -52.14 64.37 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 120.091 1.314 . . . . 0.81999999999999995 109.938 176.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.4 m -55.91 -37.41 68.86 Favored 'General case' 0 C--N 1.347 0.466 0 C-N-CA 118.851 -1.139 . . . . 0.81999999999999995 109.73 -176.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.6 -48.17 87.35 Favored Glycine 0 C--N 1.354 1.55 0 C-N-CA 120.037 -1.078 . . . . 0.62 111.611 176.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.82 -49.52 75.09 Favored Glycine 0 C--N 1.353 1.481 0 C-N-CA 119.267 -1.445 . . . . 0.62 109.746 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.5 t -52.91 -50.88 41.81 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 N-CA-C 108.253 -1.018 . . . . 0.62 108.253 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -49.27 -51.27 34.76 Favored 'General case' 0 C--N 1.35 0.611 0 N-CA-C 112.284 0.476 . . . . 0.62 112.284 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.81 -38.89 73.2 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 118.888 0.767 . . . . 0.62 111.426 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.5 mt -69.17 -44.79 71.5 Favored 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 108.955 -0.757 . . . . 0.62 108.955 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 50.6 t -54.21 -48.37 66.54 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 109.218 -0.66 . . . . 0.62 109.218 -177.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -54.54 -43.97 72.44 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 119.572 -0.851 . . . . 0.68000000000000005 110.43 175.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.6 m -92.74 38.68 1.02 Allowed 'General case' 0 C--N 1.354 0.787 0 CA-C-N 119.242 0.928 . . . . 0.62 111.261 176.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -162.53 49.9 0.18 Allowed 'General case' 0 C--N 1.352 0.711 0 CA-C-O 118.376 -0.821 . . . . 0.62 109.347 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.11 36.71 0.93 Allowed 'General case' 0 C--N 1.356 0.889 0 CA-C-N 118.784 0.72 . . . . 0.76000000000000001 112.769 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.4 t -140.25 50.04 1.72 Allowed 'General case' 0 C--N 1.35 0.608 0 CA-C-N 119.507 1.048 . . . . 0.62 108.959 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.9 m 68.37 -71.4 0.11 Allowed 'General case' 0 C--N 1.353 0.722 0 N-CA-C 112.689 0.625 . . . . 0.62 112.689 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.89 -58.15 9.65 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 120.1 1.318 . . . . 0.70999999999999996 110.118 -174.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -62.87 -41.04 99.24 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 120.082 -0.647 . . . . 0.70999999999999996 111.491 -177.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.413 ' CZ ' ' CE1' ' A' ' 79' ' ' TYR . 3.7 tpm_? -48.6 -44.31 36.89 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 119.047 -0.502 . . . . 0.76000000000000001 111.074 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -62.46 -47.06 85.68 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.13 0.877 . . . . 0.68000000000000005 110.901 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.4 mm -62.53 -50.67 78.9 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 N-CA-C 107.102 -1.444 . . . . 0.62 107.102 -174.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.2 85.01 Favored 'General case' 0 CA--C 1.505 -0.772 0 C-N-CA 119.111 -1.036 . . . . 0.62 109.306 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.8 t -49.82 -50.21 45.97 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 120.045 1.293 . . . . 0.81999999999999995 110.798 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.57 -40.7 97.64 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.889 -0.724 . . . . 0.62 110.455 -178.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 57.7 m -70.08 -43.53 70.94 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 120.193 -0.603 . . . . 0.81999999999999995 111.878 -177.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.1 mt -58.38 -49.66 76.46 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 108.412 -0.959 . . . . 0.62 108.412 176.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -51.77 -51.98 52.24 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 116.377 -0.374 . . . . 0.62 110.488 174.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -60.5 -48.27 82.51 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.385 0.539 . . . . 0.62 111.023 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.87 -53.73 37.17 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 109.902 -0.407 . . . . 0.62 109.902 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.22 -52.25 66.49 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 119.982 -0.687 . . . . 0.62 109.797 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.03 -24.17 58.06 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-O 118.038 -1.423 . . . . 0.62 112.87 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.63 -22.74 67.06 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.232 2.016 . . . . 0.62 111.324 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 34.8 mm -78.94 130.27 36.38 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 CA-C-N 119.39 0.996 . . . . 0.62 110.147 -171.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.9 m -73.85 -53.43 10.21 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.4 1.0 . . . . 0.62 109.227 -174.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.73 45.88 2.92 Favored Glycine 0 C--N 1.356 1.659 0 N-CA-C 110.029 -1.228 . . . . 0.62 110.029 175.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 tt -56.38 131.24 19.75 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-N 118.52 1.16 . . . . 0.62 109.242 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -96.15 120.22 36.04 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.653 1.115 . . . . 0.68000000000000005 108.209 175.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.7 tt -61.2 -52.34 65.22 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.169 0.895 . . . . 0.62 109.699 -173.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.34 -43.45 93.77 Favored Glycine 0 C--N 1.353 1.503 0 CA-C-O 118.658 -1.079 . . . . 0.62 112.556 -176.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -66.44 -41.46 89.12 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 119.319 1.56 . . . . 0.62 109.328 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.11 82.78 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 120.389 1.449 . . . . 0.62 110.329 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.73 -29.03 65.18 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 119.368 -0.933 . . . . 0.62 112.276 177.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -79.71 -20.07 69.31 Favored Glycine 0 C--N 1.353 1.484 0 CA-C-O 118.542 -1.143 . . . . 0.62 112.445 176.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.4 tp -49.37 -56.46 16.14 Favored Pre-proline 0 C--N 1.352 0.704 0 CA-C-N 119.852 1.826 . . . . 0.62 112.672 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.27 -32.8 15.8 Favored 'Trans proline' 0 C--N 1.355 0.907 0 CA-C-N 123.587 2.317 . . . . 0.53000000000000003 110.191 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.7 m -58.75 -36.66 74.7 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 119.692 1.133 . . . . 0.62 110.029 176.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.7 m -56.7 -47.92 78.85 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 108.036 -1.098 . . . . 0.62 108.036 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 56.4 m -113.75 74.07 0.85 Allowed 'General case' 0 C--N 1.354 0.764 0 N-CA-C 108.659 -0.867 . . . . 0.81999999999999995 108.659 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.4 113.94 4.65 Favored Glycine 0 C--N 1.353 1.493 0 CA-C-O 118.223 -1.321 . . . . 0.62 112.46 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.12 -161.9 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.786 0 N-CA-C 105.098 -2.186 . . . . 0.62 105.098 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -71.58 72.63 0.74 Allowed 'General case' 0 C--N 1.356 0.864 0 CA-C-N 123.562 2.892 . . . . 0.68000000000000005 111.72 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 43.5 mt -121.09 95.31 48.82 Favored Pre-proline 0 C--N 1.355 0.837 0 CA-C-O 116.906 -1.521 . . . . 0.62 109.431 177.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -83.98 57.16 5.34 Favored 'Trans proline' 0 C--N 1.362 1.238 0 CA-C-N 123.051 2.125 . . . . 0.53000000000000003 111.257 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.413 ' CE1' ' CZ ' ' A' ' 44' ' ' ARG . 34.0 p90 -166.71 174.87 8.31 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 117.004 -1.474 . . . . 0.62 109.462 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.76 45.47 2.81 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 121.092 1.769 . . . . 0.62 109.286 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 42.5 mt 35.88 52.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-N 115.312 -0.858 . . . . 0.62 109.656 -177.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.1 m -68.0 127.39 93.32 Favored Pre-proline 0 C--N 1.353 0.751 0 CA-C-O 116.015 -1.945 . . . . 0.62 108.495 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -67.32 4.63 1.17 Allowed 'Trans proline' 0 C--N 1.358 1.039 0 CA-C-N 124.788 2.746 . . . . 0.53000000000000003 113.67 172.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.7 m -140.31 34.0 1.89 Allowed 'General case' 0 C--N 1.358 0.953 0 CA-C-N 121.488 1.949 . . . . 0.62 111.096 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.5 t -83.06 152.88 25.17 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 120.031 1.287 . . . . 0.62 109.983 177.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -94.96 131.1 41.28 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 107.403 -1.332 . . . . 0.70999999999999996 107.403 174.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 90.1 m -135.74 48.89 2.18 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 119.261 0.937 . . . . 0.81999999999999995 109.016 174.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.8 p -92.98 -41.75 9.83 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-O 117.938 -1.03 . . . . 0.62 110.548 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -102.84 50.81 0.81 Allowed 'General case' 0 C--N 1.358 0.936 0 CA-C-N 120.432 1.469 . . . . 0.62 109.873 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 74.2 t -77.31 147.36 7.39 Favored 'Isoleucine or valine' 0 C--N 1.35 0.62 0 CA-C-O 117.743 -1.123 . . . . 0.62 108.069 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 . . . . . 0 C--O 1.263 1.812 0 CA-C-O 116.993 -1.479 . . . . 0.68000000000000005 110.062 179.404 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 119.094 -0.479 . . . . 0.62 110.72 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -69.91 150.04 10.33 Favored 'Isoleucine or valine' 0 C--N 1.349 0.546 0 CA-C-O 118.295 -0.86 . . . . 0.62 112.489 176.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.6 p -149.19 158.06 43.87 Favored 'General case' 0 C--N 1.36 1.028 0 CA-C-N 119.484 1.038 . . . . 0.62 109.861 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 80.5 m -49.31 -44.62 44.4 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 113.924 1.083 . . . . 0.81999999999999995 113.924 -177.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.91 -43.91 61.31 Favored Glycine 0 C--N 1.349 1.26 0 C-N-CA 119.179 -1.486 . . . . 0.62 111.44 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -69.28 -44.72 71.27 Favored 'General case' 0 C--N 1.351 0.665 0 N-CA-C 108.956 -0.757 . . . . 0.68000000000000005 108.956 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.1 t -59.63 -54.03 40.16 Favored 'Isoleucine or valine' 0 C--N 1.349 0.574 0 C-N-CA 120.034 -0.666 . . . . 0.62 109.552 -174.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.3 m -58.78 -41.04 85.71 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 119.85 -0.74 . . . . 0.62 109.725 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.9 t -58.97 -44.65 91.57 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 119.957 -0.697 . . . . 0.62 111.059 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -53.24 -42.92 66.93 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.218 0.917 . . . . 0.68000000000000005 110.163 175.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 mp -85.68 21.69 1.79 Allowed 'General case' 0 C--N 1.349 0.546 0 N-CA-C 113.915 1.08 . . . . 0.62 113.915 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.35 -52.81 59.48 Favored Pre-proline 0 C--N 1.353 0.756 0 CA-C-O 116.32 -1.8 . . . . 0.62 112.878 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -75.18 -16.11 19.99 Favored 'Trans proline' 0 C--N 1.361 1.228 0 CA-C-N 124.109 2.503 . . . . 0.53000000000000003 111.783 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.5 m -68.21 -35.27 77.7 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.989 1.268 . . . . 0.81999999999999995 109.88 172.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.3 mt -48.4 -42.99 33.51 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 108.434 -0.95 . . . . 0.62 108.434 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.68 -46.75 77.55 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 111.885 0.328 . . . . 0.62 111.885 175.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -60.37 -40.77 91.99 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 121.919 -0.488 . . . . 0.62 111.079 177.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.17 -35.95 81.82 Favored 'General case' 0 CA--C 1.508 -0.664 0 O-C-N 123.153 0.283 . . . . 0.62 111.718 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -63.81 -13.8 47.54 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 119.649 -0.821 . . . . 0.76000000000000001 111.881 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.6 t30 68.09 51.45 0.73 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-N 119.954 1.252 . . . . 0.68000000000000005 110.581 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.3 t -165.92 -47.98 0.03 OUTLIER 'General case' 0 C--N 1.352 0.684 0 CA-C-O 117.941 -1.028 . . . . 0.62 113.058 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -91.69 157.87 24.8 Favored Glycine 0 C--N 1.354 1.582 0 CA-C-N 120.637 1.562 . . . . 0.62 110.01 -177.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -73.93 175.13 11.24 Favored 'Trans proline' 0 C--N 1.354 0.838 0 CA-C-N 120.563 2.181 . . . . 0.53000000000000003 113.496 -175.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mp -75.4 -35.35 61.04 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 118.662 -0.685 . . . . 0.62 110.674 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.19 -121.26 21.53 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-O 117.725 -1.597 . . . . 0.62 110.758 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.4 mmt85 -99.28 37.64 1.53 Allowed 'General case' 0 C--N 1.358 0.942 0 CA-C-N 119.952 1.876 . . . . 0.76000000000000001 111.705 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.4 t -62.29 -54.03 46.48 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 121.597 -0.689 . . . . 0.81999999999999995 109.543 174.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.9 m -54.46 -42.09 70.23 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 118.661 -1.216 . . . . 0.81999999999999995 110.209 -176.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.22 -47.46 90.7 Favored Glycine 0 C--N 1.352 1.421 0 C-N-CA 119.656 -1.259 . . . . 0.62 112.145 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.57 -43.31 96.72 Favored Glycine 0 C--N 1.352 1.433 0 C-N-CA 119.494 -1.336 . . . . 0.62 111.628 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.0 t -60.93 -52.0 66.69 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 107.25 -1.389 . . . . 0.62 107.25 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -41.03 -47.46 3.09 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 112.532 0.567 . . . . 0.62 112.532 -178.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.72 95.32 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 118.878 -1.129 . . . . 0.62 110.112 -176.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.8 mt -70.21 -30.11 67.13 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-O 117.429 -1.272 . . . . 0.62 110.552 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.1 t -54.64 -47.41 72.75 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-N 121.827 2.103 . . . . 0.62 108.352 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -64.46 -37.67 88.35 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 119.624 -0.83 . . . . 0.68000000000000005 111.359 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 65.7 m -80.92 -40.36 24.73 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 118.347 0.521 . . . . 0.62 110.916 -176.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.32 46.53 0.11 Allowed 'General case' 0 C--N 1.348 0.534 0 C-N-CA 123.496 0.718 . . . . 0.62 112.511 175.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -136.29 42.8 2.53 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.534 1.061 . . . . 0.76000000000000001 109.589 171.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 42' ' ' GLU . 1.9 m -133.09 30.22 3.97 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 109.414 -0.587 . . . . 0.62 109.414 172.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.27 27.9 m 57.3 -73.04 0.02 OUTLIER 'General case' 0 C--N 1.355 0.838 0 N-CA-C 113.633 0.975 . . . . 0.62 113.633 -176.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 40' ' ' THR . 1.9 tm-20 -52.52 -51.93 57.17 Favored 'General case' 0 C--N 1.347 0.482 0 N-CA-C 107.634 -1.247 . . . . 0.70999999999999996 107.634 -178.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -63.56 -44.23 94.74 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 119.798 -0.761 . . . . 0.70999999999999996 112.656 -177.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -52.34 -41.11 62.74 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 112.856 0.687 . . . . 0.76000000000000001 112.856 176.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -60.47 -39.21 86.81 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 118.854 -1.138 . . . . 0.68000000000000005 110.149 -176.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.3 mm -62.37 -50.04 81.52 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 N-CA-C 108.104 -1.073 . . . . 0.62 108.104 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.55 -63.19 1.2 Allowed 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.376 0.989 . . . . 0.62 111.18 -177.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.2 p -60.85 -41.47 95.94 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 118.023 -0.989 . . . . 0.81999999999999995 112.621 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 49.5 m -66.45 -45.7 78.91 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.59 1.541 . . . . 0.62 109.79 -175.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 89.3 m -60.9 -43.52 98.39 Favored 'General case' 0 CA--C 1.511 -0.545 0 O-C-N 121.035 -1.041 . . . . 0.81999999999999995 110.517 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.9 mt -68.24 -43.24 78.34 Favored 'General case' 0 CA--C 1.507 -0.677 0 C-N-CA 119.343 -0.943 . . . . 0.62 110.212 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -46.24 -52.08 13.19 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 109.054 -0.721 . . . . 0.62 109.054 175.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.8 p -66.81 -42.8 85.33 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 118.384 -0.817 . . . . 0.62 110.948 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.26 -53.96 52.34 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 120.178 1.354 . . . . 0.62 109.407 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.48 -49.31 64.96 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 120.233 -0.587 . . . . 0.62 110.013 175.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.68 -35.0 56.76 Favored Glycine 0 C--N 1.35 1.358 0 C-N-CA 119.534 -1.317 . . . . 0.62 112.317 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.51 -32.56 72.62 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 118.896 1.348 . . . . 0.62 113.087 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 68.4 mt -67.68 132.29 32.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 CA-C-N 119.729 1.15 . . . . 0.62 108.778 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.5 m -71.82 -52.21 18.6 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 120.101 1.318 . . . . 0.62 113.152 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.19 41.17 3.08 Favored Glycine 0 C--N 1.355 1.598 0 CA-C-N 119.504 1.047 . . . . 0.62 111.565 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.13 138.14 22.88 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 CA-C-O 117.626 -1.178 . . . . 0.62 109.136 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -110.78 127.22 55.29 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 119.102 0.865 . . . . 0.68000000000000005 109.69 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.43 -48.84 76.12 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 109.284 -0.636 . . . . 0.62 109.284 -173.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.24 -39.84 95.1 Favored Glycine 0 C--N 1.351 1.399 0 C-N-CA 119.84 -1.171 . . . . 0.62 112.173 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -66.71 -40.31 88.38 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 118.256 1.028 . . . . 0.62 109.203 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.56 -55.51 31.14 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 119.513 -0.875 . . . . 0.62 112.39 173.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.55 -16.52 63.77 Favored 'General case' 0 C--N 1.346 0.442 0 C-N-CA 118.895 -1.122 . . . . 0.62 112.5 175.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.86 -26.06 74.82 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-N 120.661 1.573 . . . . 0.62 113.745 175.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.0 mt -48.89 -56.79 13.5 Favored Pre-proline 0 C--N 1.351 0.658 0 CA-C-N 120.22 2.01 . . . . 0.62 114.325 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.22 -22.06 55.16 Favored 'Trans proline' 0 C--N 1.36 1.166 0 CA-C-N 123.927 2.438 . . . . 0.53000000000000003 113.064 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.2 t -83.85 -53.23 5.75 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 119.419 1.009 . . . . 0.62 109.671 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.7 m -67.94 -46.83 70.36 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 118.302 0.501 . . . . 0.62 110.642 -177.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 86.9 m -90.83 64.88 5.65 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 107.452 -1.314 . . . . 0.81999999999999995 107.452 171.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -36.21 101.43 0.01 OUTLIER Glycine 0 C--N 1.351 1.417 0 CA-C-O 117.763 -1.576 . . . . 0.62 114.53 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 7.8 m -141.08 157.05 22.43 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 CA-C-N 119.449 1.625 . . . . 0.62 110.126 176.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -80.98 61.73 4.69 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 118.974 0.806 . . . . 0.68000000000000005 110.52 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.3 pt -89.26 119.01 69.66 Favored Pre-proline 0 C--N 1.359 1.002 0 CA-C-O 116.837 -1.554 . . . . 0.62 107.977 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -81.85 54.28 4.98 Favored 'Trans proline' 0 C--N 1.356 0.952 0 CA-C-N 123.049 2.125 . . . . 0.53000000000000003 110.966 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -171.98 133.36 0.71 Allowed 'General case' 0 C--N 1.352 0.694 0 CA-C-O 117.334 -1.317 . . . . 0.62 108.534 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -82.29 134.44 35.27 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 105.251 -2.129 . . . . 0.62 105.251 176.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 78.2 mt -76.94 101.39 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.726 0 N-CA-C 104.063 -2.569 . . . . 0.62 104.063 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.5 m -153.01 146.64 18.17 Favored Pre-proline 0 C--N 1.356 0.863 0 CA-C-N 121.023 1.738 . . . . 0.62 111.046 177.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -68.09 -15.69 43.5 Favored 'Trans proline' 0 C--N 1.361 1.212 0 CA-C-N 122.185 1.816 . . . . 0.53000000000000003 112.17 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.8 t -73.3 -44.61 58.75 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 119.658 1.117 . . . . 0.62 111.972 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.1 t -72.89 156.53 38.78 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.869 -1.062 . . . . 0.62 111.611 -175.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.16 148.56 44.06 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.317 0.962 . . . . 0.70999999999999996 108.462 174.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 10.8 m -107.94 28.24 8.44 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 118.197 0.453 . . . . 0.81999999999999995 110.38 176.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.6 p -68.46 -45.79 71.52 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 108.387 -0.968 . . . . 0.62 108.387 177.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.26 61.52 0.69 Allowed 'General case' 0 C--N 1.357 0.899 0 N-CA-C 106.832 -1.544 . . . . 0.62 106.832 176.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.1 p -62.41 152.34 7.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 CA-C-O 118.147 -0.93 . . . . 0.62 110.578 -177.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 . . . . . 0 C--O 1.262 1.751 0 N-CA-C 107.961 -1.126 . . . . 0.68000000000000005 107.961 178.262 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 117.608 -1.187 . . . . 0.62 109.835 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 29.0 mm -83.57 150.57 4.14 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 CA-C-N 119.791 1.178 . . . . 0.62 108.889 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.57 158.66 43.67 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 108.936 -0.764 . . . . 0.62 108.936 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.5 m -60.31 -35.01 74.6 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 119.226 -0.99 . . . . 0.81999999999999995 111.969 -176.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.47 -43.41 85.31 Favored Glycine 0 C--N 1.352 1.439 0 CA-C-N 120.377 1.444 . . . . 0.62 112.178 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -58.77 -36.55 74.57 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 118.178 0.989 . . . . 0.68000000000000005 109.569 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.6 t -72.87 -63.78 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.591 0 N-CA-C 109.831 -0.433 . . . . 0.62 109.831 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 m -46.8 -48.35 20.77 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 118.008 0.367 . . . . 0.62 111.027 -175.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.0 p -55.33 -55.59 29.8 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 118.383 -0.818 . . . . 0.62 112.195 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -63.53 -34.42 77.74 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 120.929 1.695 . . . . 0.68000000000000005 111.057 178.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.44 -0.32 19.67 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 116.812 -1.566 . . . . 0.62 111.78 177.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.69 -52.44 60.61 Favored Pre-proline 0 C--N 1.356 0.87 0 CA-C-N 123.154 2.706 . . . . 0.62 113.529 -174.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.23 -27.8 48.32 Favored 'Trans proline' 0 C--N 1.364 1.346 0 CA-C-N 123.196 2.177 . . . . 0.53000000000000003 110.654 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 83.8 m -65.35 -51.05 63.12 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 108.603 -0.888 . . . . 0.81999999999999995 108.603 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.5 mt -48.35 -42.2 30.76 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 120.035 -0.666 . . . . 0.62 110.606 176.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.63 -36.44 73.45 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 119.391 -0.924 . . . . 0.62 111.342 177.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -58.17 -36.92 73.75 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.545 1.066 . . . . 0.62 110.897 172.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.2 mt -60.89 -36.21 78.64 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 119.879 -0.728 . . . . 0.62 110.979 177.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -70.43 1.99 4.41 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 117.069 -1.443 . . . . 0.76000000000000001 113.284 174.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 48.81 40.87 17.26 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 122.354 2.343 . . . . 0.68000000000000005 109.307 -169.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.8 m -126.86 -60.5 1.22 Allowed 'General case' 0 C--N 1.358 0.97 0 CA-C-O 118.032 -0.985 . . . . 0.62 110.349 -178.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -96.46 145.39 17.81 Favored Glycine 0 C--N 1.356 1.683 0 CA-C-O 116.885 -2.064 . . . . 0.62 110.626 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -77.73 163.79 28.64 Favored 'Trans proline' 0 C--N 1.359 1.11 0 CA-C-N 122.621 3.21 . . . . 0.53000000000000003 111.986 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.9 mt -66.83 -42.1 86.35 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-N 119.068 0.849 . . . . 0.62 110.663 177.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.67 -103.24 0.59 Allowed Glycine 0 C--N 1.351 1.415 0 N-CA-C 109.151 -1.58 . . . . 0.62 109.151 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -122.38 33.0 5.58 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-N 119.31 1.555 . . . . 0.76000000000000001 109.59 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.4 t -62.75 -46.76 86.58 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 118.836 -1.146 . . . . 0.81999999999999995 108.202 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.8 m -48.7 -42.94 36.57 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 118.339 -0.839 . . . . 0.81999999999999995 111.235 -176.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.05 -48.24 87.07 Favored Glycine 0 C--N 1.352 1.445 0 C-N-CA 119.418 -1.373 . . . . 0.62 110.381 176.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.86 -36.44 93.39 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-N 118.607 1.203 . . . . 0.62 112.25 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.7 t -62.64 -55.11 25.83 Favored 'Isoleucine or valine' 0 C--N 1.355 0.815 0 N-CA-C 105.676 -1.972 . . . . 0.62 105.676 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -53.11 -42.53 66.08 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-O 118.886 -0.578 . . . . 0.62 112.126 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.44 -45.55 56.0 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 119.928 -0.709 . . . . 0.62 109.94 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.6 mt -70.25 -38.89 75.24 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.243 -0.884 . . . . 0.62 110.987 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.9 t -52.9 -43.02 45.42 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 CA-C-N 120.107 1.321 . . . . 0.62 109.221 -175.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -49.39 -49.45 44.64 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 119.854 -0.739 . . . . 0.68000000000000005 111.579 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.1 p -81.67 -48.64 11.45 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 118.609 -0.71 . . . . 0.62 109.42 -177.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.47 46.27 0.01 OUTLIER 'General case' 0 C--N 1.352 0.679 0 N-CA-C 115.931 1.826 . . . . 0.62 115.931 168.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.39 19.46 2.93 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-N 120.458 1.481 . . . . 0.76000000000000001 112.174 167.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.8 m -106.63 51.8 0.74 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-N 120.389 1.449 . . . . 0.62 109.797 -173.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 m 69.66 -67.74 0.22 Allowed 'General case' 0 C--N 1.353 0.725 0 N-CA-C 113.207 0.817 . . . . 0.62 113.207 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -78.8 -59.41 2.79 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 108.758 -0.83 . . . . 0.70999999999999996 108.758 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.47 -47.73 19.16 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 116.314 -0.403 . . . . 0.70999999999999996 110.203 -174.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -44.9 -51.43 9.69 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 114.61 1.337 . . . . 0.76000000000000001 114.61 172.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -66.41 -36.36 82.64 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 109.62 -0.511 . . . . 0.68000000000000005 109.62 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.9 mm -61.42 -51.83 68.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 107.577 -1.268 . . . . 0.62 107.577 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.13 -52.76 62.24 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-N 119.142 0.883 . . . . 0.62 110.447 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.587 ' SG ' ' CD1' ' A' ' 79' ' ' TYR . 42.6 m -50.93 -49.68 59.25 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 118.947 -1.101 . . . . 0.81999999999999995 110.985 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.9 m -60.7 -49.78 76.12 Favored 'General case' 0 C--N 1.351 0.633 0 N-CA-C 107.987 -1.116 . . . . 0.62 107.987 -173.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 88.9 m -60.31 -47.63 85.2 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-O 118.697 -0.668 . . . . 0.81999999999999995 111.952 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.4 mt -63.53 -46.3 86.62 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 118.578 0.626 . . . . 0.62 109.875 -176.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -46.62 -51.1 16.5 Favored 'General case' 0 C--N 1.346 0.437 0 C-N-CA 120.178 -0.609 . . . . 0.62 109.971 176.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.5 p -70.61 -37.42 73.85 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 118.054 -0.974 . . . . 0.62 111.797 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.4 81.5 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 120.598 1.545 . . . . 0.62 109.958 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.13 -49.07 68.76 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.824 -1.176 . . . . 0.62 107.824 176.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.57 73.95 0.23 Allowed Glycine 0 C--N 1.354 1.535 0 CA-C-N 119.646 1.112 . . . . 0.62 111.088 177.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -175.89 -52.35 0.01 OUTLIER 'General case' 0 C--N 1.355 0.814 0 CA-C-N 118.001 0.901 . . . . 0.62 109.679 -176.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.6 mm -42.96 134.13 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.866 0 CA-C-O 117.865 -1.064 . . . . 0.62 110.372 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.9 t -79.07 -52.99 7.45 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 120.426 1.466 . . . . 0.62 111.395 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.38 44.27 3.27 Favored Glycine 0 C--N 1.357 1.697 0 CA-C-N 119.921 1.237 . . . . 0.62 112.639 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.8 tt -76.98 137.33 22.69 Favored 'Isoleucine or valine' 0 C--N 1.352 0.692 0 CA-C-N 119.19 1.495 . . . . 0.62 110.665 -178.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -104.03 120.22 40.61 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 107.142 -1.429 . . . . 0.68000000000000005 107.142 170.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 tp -57.75 -44.91 86.43 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.949 1.25 . . . . 0.62 109.951 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.87 -40.83 65.86 Favored Glycine 0 C--N 1.354 1.563 0 C-N-CA 119.393 -1.384 . . . . 0.62 111.604 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -72.07 -40.64 68.14 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 118.581 1.19 . . . . 0.62 109.434 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.45 -48.87 78.02 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.244 0.929 . . . . 0.62 110.099 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.87 -22.28 61.54 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 119.377 0.99 . . . . 0.62 111.242 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -84.18 -15.96 68.21 Favored Glycine 0 C--N 1.357 1.737 0 CA-C-O 118.096 -1.391 . . . . 0.62 113.41 173.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.6 tp -58.02 -46.76 99.67 Favored Pre-proline 0 C--N 1.353 0.742 0 CA-C-N 120.792 2.296 . . . . 0.62 112.005 -176.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -60.14 -42.89 39.5 Favored 'Trans proline' 0 CA--C 1.502 -1.079 0 CA-C-N 122.474 1.919 . . . . 0.53000000000000003 111.691 173.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -60.2 -42.55 95.33 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 119.608 -0.837 . . . . 0.62 109.07 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.5 m -64.57 -50.18 68.26 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 107.068 -1.456 . . . . 0.62 107.068 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 82.4 m -89.49 66.07 7.24 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 107.973 -1.121 . . . . 0.81999999999999995 107.973 173.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.02 109.12 0.12 Allowed Glycine 0 C--N 1.352 1.467 0 CA-C-O 117.726 -1.597 . . . . 0.62 113.005 -177.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 13.0 m -145.36 157.22 13.29 Favored 'Isoleucine or valine' 0 C--N 1.356 0.89 0 CA-C-N 119.681 1.74 . . . . 0.62 110.927 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -82.31 64.69 7.09 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 118.355 0.525 . . . . 0.68000000000000005 111.707 -176.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 47.7 pt -102.63 133.65 20.35 Favored Pre-proline 0 C--N 1.356 0.868 0 CA-C-O 116.922 -1.513 . . . . 0.62 110.478 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -86.67 55.43 3.3 Favored 'Trans proline' 0 C--N 1.362 1.276 0 CA-C-N 123.28 2.207 . . . . 0.53000000000000003 112.025 177.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.587 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 18.4 p90 -175.52 146.55 0.79 Allowed 'General case' 0 C--N 1.354 0.77 0 CA-C-O 115.859 -2.019 . . . . 0.62 108.85 178.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -100.46 29.63 4.31 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-N 121.661 2.028 . . . . 0.62 112.912 -176.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.3 mt 50.1 39.55 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.702 0 O-C-N 121.269 -0.894 . . . . 0.62 111.16 -178.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 28.2 t -94.78 131.27 30.91 Favored Pre-proline 0 C--N 1.353 0.721 0 CA-C-O 115.823 -2.037 . . . . 0.62 108.821 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -51.25 -32.02 39.24 Favored 'Trans proline' 0 C--N 1.362 1.276 0 CA-C-N 123.744 2.373 . . . . 0.53000000000000003 114.018 175.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -85.19 -9.31 57.96 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.269 -1.348 . . . . 0.62 114.07 -176.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.5 m -81.17 118.16 22.32 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 121.321 1.873 . . . . 0.62 109.798 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -74.83 129.48 37.76 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 120.079 1.308 . . . . 0.70999999999999996 109.457 173.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 4.0 t -144.13 39.13 1.32 Allowed 'General case' 0 C--N 1.352 0.697 0 CA-C-N 119.129 0.877 . . . . 0.81999999999999995 109.599 172.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.1 m -103.52 0.65 31.26 Favored 'General case' 0 C--N 1.359 0.995 0 CA-C-O 116.703 -1.618 . . . . 0.62 112.828 175.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -128.85 38.24 3.97 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-N 120.996 1.726 . . . . 0.62 108.279 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.6 t -89.96 128.95 41.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 CA-C-O 118.607 -0.711 . . . . 0.62 109.497 -170.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 . . . . . 0 C--O 1.268 2.078 0 CA-C-O 118.293 -0.861 . . . . 0.68000000000000005 111.517 179.49 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 118.618 -0.706 . . . . 0.62 111.288 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.72 130.9 33.3 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 CA-C-O 117.913 -1.041 . . . . 0.62 109.96 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.7 p -136.18 157.5 46.67 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 120.26 1.391 . . . . 0.62 111.484 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.4 t -64.53 -29.49 70.52 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 117.901 -1.047 . . . . 0.81999999999999995 111.843 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.35 -42.44 64.32 Favored Glycine 0 C--N 1.353 1.475 0 CA-C-N 119.505 1.048 . . . . 0.62 113.111 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -62.68 -46.28 88.9 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 118.389 1.095 . . . . 0.68000000000000005 109.876 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 66.0 t -65.8 -43.33 93.37 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 N-CA-C 107.608 -1.256 . . . . 0.62 107.608 -176.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.3 m -62.22 -47.2 85.49 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 108.004 -1.11 . . . . 0.62 108.004 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.1 t -56.67 -47.5 79.69 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 120.726 -0.39 . . . . 0.62 109.998 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -55.1 -42.81 73.38 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 120.248 -0.581 . . . . 0.68000000000000005 110.801 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 mp -96.79 24.67 5.87 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 118.531 -0.747 . . . . 0.62 112.93 -177.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.52 -51.9 77.53 Favored Pre-proline 0 C--N 1.353 0.752 0 CA-C-N 120.227 1.376 . . . . 0.62 112.241 -174.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.35 -30.95 36.03 Favored 'Trans proline' 0 C--N 1.362 1.281 0 CA-C-N 122.854 2.055 . . . . 0.53000000000000003 110.929 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.6 m -61.26 -39.59 90.9 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 119.696 -0.802 . . . . 0.81999999999999995 109.293 178.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.9 mt -56.31 -44.4 79.87 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.788 1.176 . . . . 0.62 109.086 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.99 -47.17 81.38 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 120.02 -0.672 . . . . 0.62 109.293 176.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -50.53 -43.27 55.94 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 120.116 1.325 . . . . 0.62 111.279 176.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.1 mt -50.48 -39.33 47.85 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.939 -0.704 . . . . 0.62 111.046 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.0 ttt-85 -88.29 27.62 1.21 Allowed 'General case' 0 C--N 1.353 0.754 0 CA-C-O 118.466 -0.778 . . . . 0.76000000000000001 111.475 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 44.93 49.36 9.22 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-N 120.877 1.671 . . . . 0.68000000000000005 111.978 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -137.87 -53.7 0.65 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-O 118.158 -0.925 . . . . 0.62 112.859 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -99.97 145.39 17.35 Favored Glycine 0 C--N 1.356 1.644 0 CA-C-O 115.498 -2.834 . . . . 0.62 109.919 -176.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -71.66 -173.64 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.138 1 CA-C-N 125.122 4.461 . . . . 0.53000000000000003 112.219 177.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -78.48 -43.23 27.54 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 108.572 -0.899 . . . . 0.62 108.572 175.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.68 -128.56 45.19 Favored Glycine 0 C--N 1.353 1.505 0 CA-C-O 118.203 -1.332 . . . . 0.62 111.194 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -90.07 14.25 12.86 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 119.261 1.53 . . . . 0.76000000000000001 112.114 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.9 t -53.02 -43.24 66.37 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 120.306 1.412 . . . . 0.81999999999999995 109.689 174.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 82.6 m -52.31 -40.59 62.06 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.826 -0.749 . . . . 0.81999999999999995 112.779 -175.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.03 -39.8 96.18 Favored Glycine 0 C--N 1.35 1.349 0 C-N-CA 119.184 -1.484 . . . . 0.62 110.499 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.17 -36.46 91.85 Favored Glycine 0 C--N 1.349 1.265 0 C-N-CA 119.921 -1.133 . . . . 0.62 111.915 175.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.11 -44.25 98.78 Favored 'Isoleucine or valine' 0 C--N 1.352 0.679 0 N-CA-C 106.582 -1.636 . . . . 0.62 106.582 177.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -53.68 -45.33 70.29 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 118.524 -0.751 . . . . 0.62 110.309 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.17 -43.44 67.06 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 119.739 1.154 . . . . 0.62 110.083 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 mt -56.9 -33.77 67.23 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 118.665 -1.214 . . . . 0.62 112.631 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.4 t -54.71 -52.56 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.698 0 CA-C-N 120.723 1.601 . . . . 0.62 108.696 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -68.84 -39.4 79.98 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 119.542 -0.863 . . . . 0.68000000000000005 109.29 -177.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.8 t -65.56 -67.3 0.45 Allowed 'General case' 0 C--N 1.356 0.853 0 N-CA-C 106.812 -1.551 . . . . 0.62 106.812 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.39 -48.19 13.53 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 118.264 0.483 . . . . 0.62 110.704 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.7 -12.48 0.07 Allowed 'General case' 0 C--N 1.349 0.577 0 CA-C-O 116.777 -1.582 . . . . 0.76000000000000001 114.749 -177.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.1 m -88.07 39.21 0.89 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-N 121.362 1.892 . . . . 0.62 111.217 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.1 m 59.03 -80.59 0.02 OUTLIER 'General case' 0 C--N 1.356 0.852 0 CA-C-N 120.444 1.475 . . . . 0.62 114.911 172.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.15 -48.83 72.15 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 107.821 -1.177 . . . . 0.70999999999999996 107.821 -173.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.61 -37.97 8.92 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-O 118.827 -0.606 . . . . 0.70999999999999996 111.463 175.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.524 ' NH1' ' O ' ' A' ' 91' ' ' GLN . 4.4 ttp-105 -69.38 -40.83 77.18 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 119.483 1.038 . . . . 0.76000000000000001 112.681 177.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -56.11 -43.81 78.46 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 107.833 -1.173 . . . . 0.68000000000000005 107.833 176.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.73 -50.55 79.29 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 CA-C-O 118.615 -0.707 . . . . 0.62 110.04 174.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.11 -50.89 68.08 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 119.915 1.234 . . . . 0.62 110.408 -176.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.9 m -57.52 -48.19 79.94 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 119.238 -0.985 . . . . 0.81999999999999995 109.738 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 46.9 m -60.28 -47.44 85.99 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 107.479 -1.304 . . . . 0.62 107.479 -174.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 44.7 t -60.08 -45.71 91.99 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 115.383 -0.826 . . . . 0.81999999999999995 111.728 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.7 mt -70.75 -45.94 63.89 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 109.366 -0.605 . . . . 0.62 109.366 -175.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -54.68 -42.73 71.75 Favored 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 120.756 -0.378 . . . . 0.62 110.149 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.2 m -67.73 -47.67 68.65 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 120.018 -0.673 . . . . 0.62 109.599 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.93 -63.58 1.1 Allowed 'General case' 0 C--N 1.353 0.728 0 N-CA-C 109.41 -0.589 . . . . 0.62 109.41 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.01 -41.38 78.42 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 120.456 -0.498 . . . . 0.62 109.796 -176.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.45 -35.6 73.0 Favored Glycine 0 C--N 1.353 1.513 0 C-N-CA 120.358 -0.925 . . . . 0.62 112.796 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.69 -33.88 74.72 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 119.099 1.449 . . . . 0.62 111.64 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 30.9 mm -69.43 125.31 27.18 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 N-CA-C 108.058 -1.09 . . . . 0.62 108.058 -175.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.4 m -75.56 -51.77 12.13 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-N 120.453 1.479 . . . . 0.62 111.177 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.59 50.71 4.29 Favored Glycine 0 C--N 1.354 1.549 0 CA-C-N 119.535 1.061 . . . . 0.62 110.656 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -85.15 136.32 23.02 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 CA-C-O 117.655 -1.164 . . . . 0.62 109.039 -174.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -104.92 118.98 37.89 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-N 119.831 1.196 . . . . 0.68000000000000005 109.001 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 66.2 tp -56.9 -44.67 82.57 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 118.508 0.595 . . . . 0.62 110.057 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.08 -38.03 65.14 Favored Glycine 0 C--N 1.354 1.541 0 C-N-CA 119.965 -1.112 . . . . 0.62 112.2 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -72.09 -47.3 52.37 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.038 1.419 . . . . 0.62 109.676 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.7 -53.88 17.06 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 119.804 1.184 . . . . 0.62 110.997 173.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.12 -20.04 63.2 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-O 118.434 -0.793 . . . . 0.62 113.054 175.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.2 -26.03 67.21 Favored Glycine 0 C--N 1.35 1.352 0 CA-C-N 120.485 1.493 . . . . 0.62 113.338 173.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.9 mt -51.36 -51.91 64.42 Favored Pre-proline 0 C--N 1.349 0.586 0 CA-C-N 120.42 2.11 . . . . 0.62 113.284 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -59.24 -23.43 69.57 Favored 'Trans proline' 0 C--N 1.366 1.453 0 CA-C-N 124.908 2.789 . . . . 0.53000000000000003 112.037 175.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.0 t -81.5 -54.7 5.22 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 120.199 1.363 . . . . 0.62 109.214 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.2 m -60.86 -47.69 85.22 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 109.762 -0.458 . . . . 0.62 109.762 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 82.3 m -93.9 74.57 4.19 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 106.287 -1.746 . . . . 0.81999999999999995 106.287 172.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -50.14 114.69 2.64 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-O 118.454 -1.192 . . . . 0.62 112.375 176.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.5 m -144.72 -151.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-O 116.784 -1.579 . . . . 0.62 106.917 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -131.32 51.63 2.13 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 122.294 2.316 . . . . 0.68000000000000005 110.301 176.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.2 pt -81.11 128.91 69.23 Favored Pre-proline 0 C--N 1.359 0.986 0 CA-C-O 114.596 -2.621 . . . . 0.62 107.586 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -71.38 38.5 0.34 Allowed 'Trans proline' 0 C--N 1.367 1.535 0 CA-C-N 126.85 3.482 . . . . 0.53000000000000003 116.252 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -163.44 163.76 24.77 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 120.98 1.718 . . . . 0.62 109.058 -177.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . 0.279 19.4 ptmt -108.11 17.49 22.25 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.289 0.993 . . . . 0.62 112.37 -178.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 6.6 mt 61.25 34.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 107.546 -1.279 . . . . 0.62 107.546 170.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.7 m -89.47 135.2 31.29 Favored Pre-proline 0 C--N 1.35 0.595 0 CA-C-O 115.286 -2.292 . . . . 0.62 109.291 -175.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -71.54 68.98 2.78 Favored 'Trans proline' 0 C--N 1.361 1.225 0 CA-C-N 122.989 2.103 . . . . 0.53000000000000003 112.48 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.9 m -169.37 -51.67 0.02 OUTLIER 'General case' 0 C--N 1.351 0.631 0 N-CA-C 108.481 -0.933 . . . . 0.62 108.481 -174.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.2 m -33.19 112.0 0.11 Allowed 'General case' 0 C--N 1.356 0.879 0 O-C-N 123.981 0.8 . . . . 0.62 111.649 172.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -89.8 132.08 35.42 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 107.304 -1.369 . . . . 0.70999999999999996 107.304 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 63.7 m -122.32 63.61 0.95 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.287 1.403 . . . . 0.81999999999999995 108.734 175.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.7 m -84.17 -41.63 16.83 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-O 118.471 -0.776 . . . . 0.62 109.893 173.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -121.64 64.76 0.9 Allowed 'General case' 0 C--N 1.359 1.007 0 N-CA-C 107.656 -1.239 . . . . 0.62 107.656 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.8 t -113.35 141.93 27.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-O 117.232 -1.366 . . . . 0.62 109.885 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.524 ' O ' ' NH1' ' A' ' 44' ' ' ARG . 69.1 mt-30 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 117.174 -1.394 . . . . 0.68000000000000005 109.533 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 120.555 0.217 . . . . 0.62 111.259 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -81.61 142.14 14.16 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.615 0 CA-C-O 119.037 -0.506 . . . . 0.62 110.116 -174.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 m -164.88 135.56 3.98 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 117.821 -1.085 . . . . 0.62 109.892 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 83.0 m -58.32 -33.73 69.82 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 121.19 1.814 . . . . 0.81999999999999995 110.076 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -41.49 -47.67 4.72 Favored Glycine 0 C--N 1.349 1.289 0 C-N-CA 120.362 -0.923 . . . . 0.62 113.487 169.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -61.51 -40.42 94.55 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 118.869 1.334 . . . . 0.68000000000000005 108.81 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.6 t -72.23 -55.43 13.3 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 N-CA-C 108.008 -1.108 . . . . 0.62 108.008 -168.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.8 t -54.41 -39.28 67.13 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 121.309 -0.87 . . . . 0.62 111.471 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.1 p -69.33 -49.11 58.68 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 119.167 0.894 . . . . 0.62 109.76 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -56.87 -37.24 71.06 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 120.042 1.292 . . . . 0.68000000000000005 111.112 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.75 0.99 5.94 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 116.288 -1.815 . . . . 0.62 113.921 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.28 -53.03 7.13 Favored Pre-proline 0 C--N 1.356 0.869 0 CA-C-N 122.53 2.423 . . . . 0.62 113.887 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -77.63 -22.83 10.25 Favored 'Trans proline' 0 C--N 1.356 0.951 0 CA-C-N 123.168 2.167 . . . . 0.53000000000000003 112.103 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.3 m -71.58 -55.77 7.16 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 107.747 -1.205 . . . . 0.81999999999999995 107.747 -177.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 pp -45.12 -38.61 5.25 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.762 -0.775 . . . . 0.62 111.403 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.98 -45.39 81.83 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.872 -0.731 . . . . 0.62 109.163 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -58.71 -46.19 87.88 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 120.593 0.235 . . . . 0.62 111.018 175.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.8 mt -60.68 -29.95 69.62 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 121.139 -0.976 . . . . 0.62 111.046 -177.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -72.3 4.08 4.05 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.282 -1.342 . . . . 0.76000000000000001 114.104 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 57.15 34.42 24.83 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 122.352 2.342 . . . . 0.68000000000000005 110.218 -172.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.7 m -127.71 -63.37 1.03 Allowed 'General case' 0 C--N 1.357 0.898 0 CA-C-O 118.432 -0.794 . . . . 0.62 110.498 -177.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.91 167.89 32.32 Favored Glycine 0 C--N 1.354 1.558 0 CA-C-O 117.311 -1.827 . . . . 0.62 111.043 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -88.82 -178.66 1.97 Allowed 'Trans proline' 0 C--N 1.358 1.03 0 CA-C-N 121.322 2.561 . . . . 0.53000000000000003 113.285 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -50.08 -51.72 40.44 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 112.191 0.441 . . . . 0.62 112.191 176.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.38 -130.66 51.32 Favored Glycine 0 C--N 1.348 1.242 0 CA-C-O 117.744 -1.587 . . . . 0.62 110.72 -177.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.2 mtm-85 -95.2 26.76 3.57 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 120.324 2.062 . . . . 0.76000000000000001 110.557 177.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 27.0 t -58.97 -48.2 82.39 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 119.572 1.078 . . . . 0.81999999999999995 108.459 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.1 t -59.95 -39.06 84.28 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 119.157 -1.017 . . . . 0.81999999999999995 110.869 -175.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.34 -46.2 94.38 Favored Glycine 0 C--N 1.353 1.483 0 N-CA-C 109.874 -1.291 . . . . 0.62 109.874 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.71 -50.55 64.47 Favored Glycine 0 C--N 1.351 1.414 0 C-N-CA 119.303 -1.427 . . . . 0.62 110.037 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.0 t -56.3 -51.22 66.17 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 N-CA-C 107.217 -1.401 . . . . 0.62 107.217 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -49.69 -46.19 49.75 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 119.154 0.888 . . . . 0.62 111.18 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.57 -37.66 65.76 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 120.088 -0.645 . . . . 0.62 110.764 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 21.7 mt -72.05 -38.23 69.52 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 109.962 -0.384 . . . . 0.62 109.962 -177.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.9 t -50.08 -48.0 23.79 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 N-CA-C 107.755 -1.202 . . . . 0.62 107.755 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -57.89 -40.94 81.48 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 118.406 -0.807 . . . . 0.68000000000000005 110.64 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.1 m -98.9 38.97 1.31 Allowed 'General case' 0 C--N 1.357 0.906 0 CA-C-N 118.71 0.686 . . . . 0.62 109.408 173.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -150.33 48.64 0.9 Allowed 'General case' 0 C--N 1.355 0.83 0 C-N-CA 119.841 -0.744 . . . . 0.62 109.884 175.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.85 -46.5 0.36 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-O 117.275 -1.345 . . . . 0.76000000000000001 112.298 179.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.441 ' OG1' ' OD2' ' A' ' 43' ' ' ASP . 2.8 p -60.88 72.4 0.01 OUTLIER 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.987 1.267 . . . . 0.62 111.794 172.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.0 m 46.6 -83.06 0.01 OUTLIER 'General case' 0 C--N 1.354 0.774 0 N-CA-C 116.346 1.98 . . . . 0.62 116.346 169.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -65.93 -46.2 79.09 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 120.791 1.632 . . . . 0.70999999999999996 106.633 -175.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.441 ' OD2' ' OG1' ' A' ' 40' ' ' THR . 21.3 m-20 -51.7 -50.64 60.11 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.248 -0.981 . . . . 0.70999999999999996 109.972 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.41 ' CZ ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -50.29 -51.03 48.6 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 112.749 0.648 . . . . 0.76000000000000001 112.749 174.63 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -66.09 -42.67 89.01 Favored 'General case' 0 CA--C 1.513 -0.47 0 O-C-N 121.178 -0.951 . . . . 0.68000000000000005 111.295 -174.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.7 mm -66.15 -47.74 83.7 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 108.219 -1.03 . . . . 0.62 108.219 -177.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.0 -52.37 65.53 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.621 1.101 . . . . 0.62 108.337 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.415 ' C ' ' SG ' ' A' ' 87' ' ' CYS . 26.9 t -51.88 -41.24 61.75 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 118.926 -0.559 . . . . 0.81999999999999995 111.317 176.205 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 90.7 m -65.27 -45.56 84.01 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.463 1.029 . . . . 0.62 109.839 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.0 m -66.14 -39.89 90.18 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 121.057 -1.027 . . . . 0.81999999999999995 111.014 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.8 mt -60.9 -45.84 93.0 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 107.81 -1.181 . . . . 0.62 107.81 178.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -52.98 -43.99 66.83 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 109.666 -0.494 . . . . 0.62 109.666 175.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.2 m -66.51 -44.97 81.09 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-O 119.346 -0.359 . . . . 0.62 110.624 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.71 -50.03 69.3 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 109.017 -0.734 . . . . 0.62 109.017 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.3 -47.69 78.17 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 119.093 -1.043 . . . . 0.62 108.616 -177.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.72 -36.81 88.07 Favored Glycine 0 C--N 1.356 1.668 0 C-N-CA 120.171 -1.014 . . . . 0.62 112.822 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.81 -39.18 84.01 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.313 1.557 . . . . 0.62 112.464 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.2 mt -71.95 131.82 34.16 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 CA-C-O 118.452 -0.785 . . . . 0.62 110.3 -172.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 m -73.69 -54.57 7.8 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 120.015 1.28 . . . . 0.62 112.728 -175.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -89.34 41.35 3.02 Favored Glycine 0 C--N 1.356 1.662 0 CA-C-N 119.714 1.143 . . . . 0.62 112.004 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.41 122.25 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.745 0 CA-C-N 118.129 0.964 . . . . 0.62 110.533 -175.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -89.34 118.22 28.86 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 120.099 1.318 . . . . 0.68000000000000005 108.664 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.4 tt -55.25 -52.97 61.7 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 118.717 0.689 . . . . 0.62 109.455 -175.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.18 -39.47 81.21 Favored Glycine 0 C--N 1.351 1.39 0 C-N-CA 120.0 -1.095 . . . . 0.62 114.255 -175.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 69' ' ' LEU . 50.8 mttp -70.22 -47.05 63.16 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 119.023 1.412 . . . . 0.62 107.43 -179.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.34 -58.76 6.49 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 119.831 -0.748 . . . . 0.62 110.555 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.63 -39.7 71.17 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 118.416 0.553 . . . . 0.62 112.13 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -85.69 -3.59 85.98 Favored Glycine 0 C--N 1.352 1.46 0 CA-C-O 118.624 -1.098 . . . . 0.62 113.469 176.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 65' ' ' LYS . 34.8 tp -50.16 -47.82 81.07 Favored Pre-proline 0 C--N 1.351 0.662 0 CA-C-N 120.042 1.921 . . . . 0.62 112.542 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -59.46 -27.61 85.42 Favored 'Trans proline' 0 C--N 1.364 1.362 0 CA-C-N 124.214 2.541 . . . . 0.53000000000000003 112.61 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.3 m -70.71 -47.33 60.36 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 119.181 -1.008 . . . . 0.62 109.15 176.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.9 m -58.26 -49.22 77.89 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.847 -0.741 . . . . 0.62 109.391 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 40.1 t -100.6 79.32 2.08 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 106.737 -1.579 . . . . 0.81999999999999995 106.737 173.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -34.44 110.29 0.06 OUTLIER Glycine 0 C--N 1.353 1.479 0 CA-C-O 117.895 -1.503 . . . . 0.62 113.448 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.4 m -142.23 154.2 18.57 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 CA-C-N 119.478 1.639 . . . . 0.62 109.591 176.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -90.47 54.27 2.68 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.931 1.241 . . . . 0.68000000000000005 111.405 -175.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 31.0 pt -91.42 123.87 62.73 Favored Pre-proline 0 C--N 1.353 0.754 0 CA-C-O 115.502 -2.189 . . . . 0.62 107.275 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -90.34 61.13 1.66 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 CA-C-N 125.06 2.843 . . . . 0.53000000000000003 109.539 176.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -161.8 158.01 24.99 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 118.674 -0.679 . . . . 0.62 109.792 172.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -98.47 143.04 29.33 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 107.598 -1.26 . . . . 0.62 107.598 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 93.0 mt -85.15 74.84 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.721 0 N-CA-C 106.18 -1.785 . . . . 0.62 106.18 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.1 m -125.72 142.73 42.92 Favored Pre-proline 0 C--N 1.359 0.98 0 CA-C-O 115.566 -2.159 . . . . 0.62 110.936 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -73.7 67.55 4.69 Favored 'Trans proline' 0 C--N 1.361 1.212 0 CA-C-N 124.085 2.495 . . . . 0.53000000000000003 110.271 176.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.9 t -163.1 -59.74 0.04 OUTLIER 'General case' 0 C--N 1.355 0.804 0 CA-C-N 118.077 0.399 . . . . 0.62 110.678 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.9 t -44.72 145.57 0.89 Allowed 'General case' 0 C--N 1.356 0.863 0 CA-C-O 118.913 -0.565 . . . . 0.62 112.345 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -86.49 152.95 22.23 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 118.978 0.808 . . . . 0.70999999999999996 109.162 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.415 ' SG ' ' C ' ' A' ' 48' ' ' CYS . 61.4 m -117.76 -51.65 2.47 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 118.146 0.43 . . . . 0.81999999999999995 110.545 176.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 55.6 p -51.63 -30.7 22.49 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 120.805 -1.184 . . . . 0.62 113.774 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -93.91 38.14 1.08 Allowed 'General case' 0 C--N 1.355 0.805 0 CA-C-N 119.973 1.26 . . . . 0.62 111.87 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.41 HG11 ' CZ ' ' A' ' 44' ' ' ARG . 8.2 t -81.71 132.8 30.65 Favored 'Isoleucine or valine' 0 C--N 1.348 0.522 0 C-N-CA 119.061 -1.056 . . . . 0.62 109.131 177.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 . . . . . 0 C--O 1.261 1.681 0 N-CA-C 107.886 -1.154 . . . . 0.68000000000000005 107.886 175.45 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.743 HD13 HG13 ' A' ' 46' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.065 -0.969 . . . . 0.62 108.502 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -155.33 142.68 19.47 Favored 'General case' 0 C--N 1.36 1.022 0 CA-C-N 120.325 1.42 . . . . 0.62 111.251 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.3 t -55.06 -35.83 64.95 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.399 1.454 . . . . 0.81999999999999995 112.302 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -48.55 -43.88 28.71 Favored Glycine 0 C--N 1.353 1.48 0 CA-C-N 119.51 1.05 . . . . 0.62 113.315 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -70.12 -42.9 72.0 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 108.065 -1.087 . . . . 0.68000000000000005 108.065 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 52.6 t -63.55 -48.72 85.59 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 C-N-CA 119.995 -0.682 . . . . 0.62 110.114 -175.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.3 t -63.06 -21.85 66.45 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 113.171 0.804 . . . . 0.62 113.171 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m -64.45 -49.51 71.16 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 119.503 1.047 . . . . 0.62 108.249 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -60.84 -30.34 70.05 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.582 -0.723 . . . . 0.68000000000000005 112.184 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.672 HD11 HD23 ' A' ' 51' ' ' LEU . 59.7 mt -70.94 -4.71 26.01 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-O 115.735 -2.078 . . . . 0.62 112.899 178.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' LEU . . . -40.71 -49.5 7.32 Favored Pre-proline 0 C--N 1.356 0.851 0 CA-C-N 122.273 2.306 . . . . 0.62 112.857 -175.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -72.95 -30.42 11.06 Favored 'Trans proline' 0 C--N 1.36 1.145 0 CA-C-N 122.935 2.084 . . . . 0.53000000000000003 112.074 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.6 m -66.6 -50.63 62.42 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 108.21 -1.033 . . . . 0.81999999999999995 108.21 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.458 HD22 HD11 ' A' ' 58' ' ' ILE . 79.1 mt -42.39 -41.34 2.83 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 118.139 0.427 . . . . 0.62 110.303 -179.058 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.36 -47.35 64.6 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 121.503 -0.748 . . . . 0.62 110.413 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -58.07 -39.22 77.98 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 121.756 -0.59 . . . . 0.62 112.398 175.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.5 mt -56.94 -36.08 69.83 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 118.814 -0.613 . . . . 0.62 110.486 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -81.61 11.25 4.87 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 118.008 -0.996 . . . . 0.76000000000000001 112.25 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.4 t30 49.56 49.26 20.25 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 120.969 1.713 . . . . 0.68000000000000005 110.853 -175.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 t -140.9 -51.18 0.45 Allowed 'General case' 0 C--N 1.356 0.858 0 CA-C-O 117.302 -1.333 . . . . 0.62 113.605 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.94 157.31 19.2 Favored Glycine 0 C--N 1.357 1.709 0 CA-C-N 121.316 1.871 . . . . 0.62 108.869 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -71.18 165.5 32.21 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 CA-C-N 120.54 2.17 . . . . 0.53000000000000003 112.632 -175.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.6 mp -62.15 -44.43 96.63 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.487 -0.768 . . . . 0.62 109.671 177.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 53.93 -119.96 13.21 Favored Glycine 0 C--N 1.35 1.351 0 CA-C-O 117.749 -1.584 . . . . 0.62 110.658 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -89.63 23.43 2.65 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.266 2.033 . . . . 0.76000000000000001 112.451 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.8 t -60.61 -46.88 88.62 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 121.349 1.886 . . . . 0.81999999999999995 108.799 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.0 m -60.73 -46.02 92.05 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 118.725 -1.19 . . . . 0.81999999999999995 110.376 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.69 -44.55 96.82 Favored Glycine 0 C--N 1.351 1.412 0 C-N-CA 119.486 -1.34 . . . . 0.62 111.238 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.48 -51.99 55.51 Favored Glycine 0 C--N 1.35 1.355 0 C-N-CA 119.508 -1.33 . . . . 0.62 110.059 178.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.71 -48.48 88.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 C-N-CA 119.516 -0.874 . . . . 0.62 109.144 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -42.15 -45.8 4.15 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 118.565 0.621 . . . . 0.62 110.953 175.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.47 81.79 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 119.568 -0.853 . . . . 0.62 109.257 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.6 mt -55.16 -46.98 75.76 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-O 118.075 -0.964 . . . . 0.62 109.359 -177.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.7 t -39.61 -49.02 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.687 0 CA-C-N 118.474 0.579 . . . . 0.62 110.162 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -61.68 -42.64 99.19 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 118.88 0.764 . . . . 0.68000000000000005 110.031 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.5 t -84.31 33.63 0.51 Allowed 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.821 -0.609 . . . . 0.62 110.535 169.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.13 33.16 1.1 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-N 119.302 0.956 . . . . 0.62 112.021 174.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.2 mmm-85 -129.58 -14.91 4.08 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 116.278 -1.82 . . . . 0.76000000000000001 115.395 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -77.85 47.31 0.62 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-N 122.978 2.627 . . . . 0.62 111.172 176.488 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 62.5 m 62.84 -62.3 0.12 Allowed 'General case' 0 C--N 1.357 0.916 0 N-CA-C 115.329 1.603 . . . . 0.62 115.329 174.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' THR . 53.9 mt-10 -84.52 -50.91 7.3 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 119.86 1.209 . . . . 0.70999999999999996 108.949 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -42.42 -49.04 5.27 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.746 1.157 . . . . 0.70999999999999996 109.897 173.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -49.27 -54.56 16.27 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 113.233 0.827 . . . . 0.76000000000000001 113.233 171.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -58.77 -42.92 90.11 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 119.643 -0.823 . . . . 0.68000000000000005 109.825 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.743 HG13 HD13 ' A' ' 2' ' ' ILE . 44.3 mm -58.25 -48.99 83.3 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 C-N-CA 119.27 -0.972 . . . . 0.62 109.795 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.96 -50.9 71.8 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 119.316 -0.954 . . . . 0.62 110.019 177.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 82.7 m -50.06 -54.55 19.62 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 120.252 1.387 . . . . 0.81999999999999995 110.35 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.4 t -62.61 -39.89 95.21 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 119.654 -0.819 . . . . 0.62 110.057 -175.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 41.3 t -62.22 -42.78 99.62 Favored 'General case' 0 CA--C 1.504 -0.805 0 C-N-CA 119.347 -0.941 . . . . 0.81999999999999995 110.374 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.672 HD23 HD11 ' A' ' 11' ' ' LEU . 11.9 mt -67.35 -50.29 60.49 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 119.22 -0.992 . . . . 0.62 109.062 -177.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -47.1 -46.38 22.79 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 109.059 -0.719 . . . . 0.62 109.059 175.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.0 m -63.21 -44.49 95.18 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 119.688 -0.805 . . . . 0.62 109.379 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.97 -53.84 50.51 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.895 0.771 . . . . 0.62 109.309 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.09 -52.13 53.3 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.999 -0.68 . . . . 0.62 109.902 177.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.07 -32.57 59.85 Favored Glycine 0 C--N 1.353 1.484 0 C-N-CA 119.777 -1.202 . . . . 0.62 112.666 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.25 -37.79 84.1 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 119.144 1.472 . . . . 0.62 111.168 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.458 HD11 HD22 ' A' ' 15' ' ' LEU . 16.9 mm -63.56 139.46 21.26 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 118.718 0.69 . . . . 0.62 111.024 -175.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.8 p -74.79 -74.55 0.19 Allowed 'General case' 0 C--N 1.36 1.03 0 CA-C-N 119.149 0.886 . . . . 0.62 111.759 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.24 51.95 3.98 Favored Glycine 0 C--N 1.353 1.493 0 CA-C-N 119.828 1.195 . . . . 0.62 111.914 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.29 131.85 33.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.625 0 CA-C-O 118.059 -0.972 . . . . 0.62 112.391 -171.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -93.63 109.16 20.8 Favored 'General case' 0 C--N 1.358 0.948 0 N-CA-C 107.73 -1.211 . . . . 0.68000000000000005 107.73 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.33 -42.36 99.32 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 119.011 0.823 . . . . 0.62 110.365 -173.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.42 -44.9 96.28 Favored Glycine 0 C--N 1.351 1.387 0 C-N-CA 119.783 -1.198 . . . . 0.62 111.816 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 69' ' ' LEU . 65.3 mttm -68.48 -39.92 81.16 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 119.31 1.555 . . . . 0.62 109.547 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.38 -56.62 18.06 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 119.31 0.959 . . . . 0.62 109.735 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.32 -34.8 75.85 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.997 -1.064 . . . . 0.62 110.63 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -89.04 -0.9 80.3 Favored Glycine 0 C--N 1.356 1.693 0 CA-C-O 118.257 -1.301 . . . . 0.62 114.566 177.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' LYS . 10.4 tp -48.95 -54.88 23.84 Favored Pre-proline 0 C--N 1.352 0.704 0 CA-C-N 120.774 2.287 . . . . 0.62 111.9 174.078 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.545 ' HB3' HD11 ' A' ' 77' ' ' ILE . 56.1 Cg_endo -65.02 -29.46 57.06 Favored 'Trans proline' 0 C--N 1.358 1.067 0 CA-C-N 123.934 2.441 . . . . 0.53000000000000003 109.041 -175.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.3 t -65.19 -39.65 93.13 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.648 1.113 . . . . 0.62 108.684 176.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 50.4 m -69.4 -49.85 51.45 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 108.42 -0.956 . . . . 0.62 108.42 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 74' ' ' GLY . 97.5 m -90.54 70.19 6.84 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-O 116.746 -1.597 . . . . 0.81999999999999995 107.822 172.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 73' ' ' CYS . . . -29.01 110.45 0.03 OUTLIER Glycine 0 C--N 1.349 1.258 0 CA-C-N 120.587 1.54 . . . . 0.62 114.64 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -143.25 152.7 16.7 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 CA-C-N 119.527 1.663 . . . . 0.62 109.625 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -89.22 63.46 6.55 Favored 'General case' 0 C--N 1.36 1.055 0 CA-C-O 117.87 -1.062 . . . . 0.68000000000000005 111.404 -175.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.545 HD11 ' HB3' ' A' ' 70' ' ' PRO . 22.2 pt -102.67 126.77 31.87 Favored Pre-proline 0 C--N 1.352 0.703 0 CA-C-O 116.727 -1.606 . . . . 0.62 109.118 175.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -87.99 58.99 3.03 Favored 'Trans proline' 0 C--N 1.359 1.081 0 CA-C-N 123.562 2.308 . . . . 0.53000000000000003 111.219 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.454 ' CE2' ' HB ' ' A' ' 77' ' ' ILE . 51.2 p90 -169.07 151.91 4.93 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 117.354 -1.307 . . . . 0.62 107.588 172.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -95.35 148.81 22.04 Favored 'General case' 0 C--N 1.35 0.619 0 N-CA-C 107.537 -1.282 . . . . 0.62 107.537 -175.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.402 HG23 ' HB3' ' A' ' 51' ' ' LEU . 27.0 mt -90.45 83.84 2.15 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 N-CA-C 107.113 -1.44 . . . . 0.62 107.113 -171.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.3 p -150.4 144.84 17.83 Favored Pre-proline 0 C--N 1.357 0.896 0 CA-C-O 116.916 -1.516 . . . . 0.62 111.808 -174.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -80.13 71.37 7.09 Favored 'Trans proline' 0 C--N 1.358 1.056 0 CA-C-N 122.091 1.783 . . . . 0.53000000000000003 110.593 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.1 m -159.28 -58.65 0.07 Allowed 'General case' 0 C--N 1.353 0.718 0 N-CA-C 109.191 -0.67 . . . . 0.62 109.191 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.5 t -52.37 136.4 31.35 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 118.582 -0.723 . . . . 0.62 111.712 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -82.07 147.2 29.24 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 107.16 -1.422 . . . . 0.70999999999999996 107.16 171.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 C--N 1.354 0.802 0 CA-C-O 116.974 -1.489 . . . . 0.81999999999999995 113.516 170.394 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.526 HD13 HG13 ' A' ' 46' ' ' ILE . 0.6 OUTLIER . . . . . 0 CA--C 1.511 -0.547 0 N-CA-C 109.131 -0.692 . . . . 0.62 109.131 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 m -162.83 141.99 8.84 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 119.621 1.1 . . . . 0.62 111.095 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 59.2 m -57.02 -31.58 65.28 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 121.591 1.996 . . . . 0.81999999999999995 113.767 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.99 -48.73 61.69 Favored Glycine 0 C--N 1.347 1.155 0 CA-C-N 120.536 1.516 . . . . 0.62 112.363 177.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.37 -29.96 71.02 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 118.532 1.166 . . . . 0.68000000000000005 110.415 -178.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.8 t -70.27 -50.1 49.29 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 108.791 -0.818 . . . . 0.62 108.791 178.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.8 m -59.5 -45.28 92.14 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 119.925 -0.71 . . . . 0.62 110.753 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.4 p -62.85 -46.43 87.95 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 119.737 -0.785 . . . . 0.62 109.572 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -56.11 -41.77 75.8 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 119.346 -0.941 . . . . 0.68000000000000005 111.062 176.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.5 mp -89.39 25.2 2.0 Allowed 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.362 -0.828 . . . . 0.62 112.629 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.46 -53.05 68.38 Favored Pre-proline 0 C--N 1.356 0.883 0 CA-C-O 116.688 -1.625 . . . . 0.62 111.492 -178.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -70.15 -29.63 21.74 Favored 'Trans proline' 0 C--N 1.358 1.061 0 CA-C-N 123.626 2.331 . . . . 0.53000000000000003 110.956 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.0 m -61.54 -29.15 69.82 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 117.928 -1.034 . . . . 0.81999999999999995 109.444 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -54.43 -40.25 68.13 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 120.954 1.706 . . . . 0.62 111.285 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.57 -33.13 60.6 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 119.925 -0.71 . . . . 0.62 110.804 177.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -65.66 -35.54 81.06 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 120.531 -0.467 . . . . 0.62 110.65 174.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.428 HD21 HD11 ' A' ' 69' ' ' LEU . 27.9 mt -57.94 -38.62 76.3 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-N 118.889 0.768 . . . . 0.62 111.039 176.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -68.28 -1.99 7.37 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-O 118.241 -0.885 . . . . 0.76000000000000001 113.377 172.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 61.0 t30 53.41 44.77 29.56 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 121.081 1.764 . . . . 0.68000000000000005 110.718 -176.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 t -140.78 -47.51 0.41 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-O 117.402 -1.285 . . . . 0.62 112.646 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.08 154.21 19.49 Favored Glycine 0 C--N 1.36 1.879 0 CA-C-N 121.415 1.916 . . . . 0.62 110.299 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -75.38 142.34 26.63 Favored 'Trans proline' 0 C--N 1.356 0.95 0 CA-C-N 121.329 2.565 . . . . 0.53000000000000003 113.426 -177.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -69.56 -30.53 68.36 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 113.051 0.76 . . . . 0.62 113.051 172.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.47 -120.73 21.37 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-O 118.116 -1.38 . . . . 0.62 112.14 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -95.32 20.27 9.56 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-N 120.025 1.913 . . . . 0.76000000000000001 111.096 -175.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.4 t -53.76 -32.95 54.2 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.925 1.239 . . . . 0.81999999999999995 111.168 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 71.7 m -49.62 -38.88 33.81 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.076 -0.964 . . . . 0.81999999999999995 110.637 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.3 -44.54 89.47 Favored Glycine 0 C--N 1.351 1.371 0 C-N-CA 119.172 -1.49 . . . . 0.62 110.791 176.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.11 -43.85 96.62 Favored Glycine 0 C--N 1.35 1.35 0 C-N-CA 119.61 -1.281 . . . . 0.62 111.363 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.54 -52.07 64.05 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 106.574 -1.639 . . . . 0.62 106.574 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -52.25 -43.3 64.28 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 119.149 -0.453 . . . . 0.62 110.701 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.55 -46.51 77.14 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 120.084 -0.647 . . . . 0.62 109.736 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' SER . 91.3 mt -60.01 -41.33 91.92 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 118.625 -0.702 . . . . 0.62 110.09 -177.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.43 HG22 HG23 ' A' ' 77' ' ' ILE . 60.3 t -46.98 -44.92 7.78 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.698 0 CA-C-N 118.646 0.657 . . . . 0.62 110.452 -175.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -53.13 -42.23 65.83 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 119.943 -0.703 . . . . 0.68000000000000005 109.399 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' LEU . 5.1 m -105.15 50.18 0.79 Allowed 'General case' 0 C--N 1.353 0.737 0 O-C-N 123.542 0.526 . . . . 0.62 110.391 172.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.92 38.82 0.6 Allowed 'General case' 0 C--N 1.353 0.74 0 C-N-CA 121.187 -0.205 . . . . 0.62 111.205 170.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.0 mmm-85 -139.38 9.37 2.48 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 114.892 1.441 . . . . 0.76000000000000001 114.892 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.8 m -107.58 45.31 1.01 Allowed 'General case' 0 C--N 1.356 0.889 0 CA-C-N 120.972 1.715 . . . . 0.62 108.206 177.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.6 m 66.8 -68.34 0.14 Allowed 'General case' 0 C--N 1.353 0.748 0 N-CA-C 113.485 0.92 . . . . 0.62 113.485 176.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -69.56 -55.65 9.53 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 120.088 1.313 . . . . 0.70999999999999996 108.853 -174.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -54.0 -42.08 68.67 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 119.799 -0.76 . . . . 0.70999999999999996 111.402 177.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.5 ttp85 -54.51 -48.82 71.44 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 118.184 -1.406 . . . . 0.76000000000000001 111.899 172.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -60.61 -47.66 85.25 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 120.053 -0.659 . . . . 0.68000000000000005 112.349 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.526 HG13 HD13 ' A' ' 2' ' ' ILE . 25.7 mm -58.49 -45.71 89.98 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 N-CA-C 108.262 -1.014 . . . . 0.62 108.262 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.87 -50.02 70.47 Favored 'General case' 0 CA--C 1.509 -0.6 0 C-N-CA 118.903 -1.119 . . . . 0.62 109.663 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.6 t -48.52 -47.75 38.81 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 118.732 0.696 . . . . 0.81999999999999995 111.329 174.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.3 m -68.39 -48.53 64.45 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 108.639 -0.874 . . . . 0.62 108.639 -173.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 98.0 m -59.52 -43.52 93.4 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 120.436 -0.505 . . . . 0.81999999999999995 111.049 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.576 ' HB3' HG23 ' A' ' 81' ' ' ILE . 44.7 mt -63.14 -49.51 74.08 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 119.518 -0.873 . . . . 0.62 108.723 178.448 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.458 ' HG3' ' HA ' ' A' ' 83' ' ' PRO . 50.8 tttm -48.57 -47.15 39.75 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 109.496 -0.557 . . . . 0.62 109.496 178.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.1 p -72.58 -36.15 68.09 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-O 117.329 -1.32 . . . . 0.62 112.198 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.55 -51.12 63.91 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 121.346 1.885 . . . . 0.62 109.777 175.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.01 -40.01 65.55 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 119.476 -0.89 . . . . 0.62 109.744 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.7 75.07 1.7 Allowed Glycine 0 C--N 1.355 1.613 0 CA-C-O 118.532 -1.149 . . . . 0.62 110.408 -178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 179.8 -49.52 0.01 OUTLIER 'General case' 0 C--N 1.352 0.681 0 CA-C-N 117.687 0.743 . . . . 0.62 110.674 -174.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 58' ' ' ILE . 86.6 mt -53.54 141.24 8.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 CA-C-O 117.661 -1.161 . . . . 0.62 108.607 178.224 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.8 t -72.35 -53.28 12.8 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-N 120.994 1.725 . . . . 0.62 112.405 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.66 33.52 3.92 Favored Glycine 0 C--N 1.354 1.546 0 O-C-N 120.934 -1.104 . . . . 0.62 114.488 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.535 HD11 ' HB2' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -64.62 132.25 30.44 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.654 0 CA-C-N 120.28 2.04 . . . . 0.62 111.194 -179.489 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -97.61 107.94 20.55 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 119.998 1.272 . . . . 0.68000000000000005 109.149 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.4 tp -47.65 -45.97 28.47 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 112.64 0.607 . . . . 0.62 112.64 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.01 -35.48 64.24 Favored Glycine 0 C--N 1.351 1.382 0 C-N-CA 119.69 -1.243 . . . . 0.62 112.247 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -69.46 -50.75 42.51 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.162 1.481 . . . . 0.62 108.611 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.535 ' HB2' HD11 ' A' ' 61' ' ' ILE . . . -48.79 -55.05 12.67 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 119.647 -0.821 . . . . 0.62 109.916 176.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.6 -31.91 69.92 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 117.791 -1.1 . . . . 0.62 112.883 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -86.59 7.23 80.23 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-O 117.597 -1.668 . . . . 0.62 115.083 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.428 HD11 HD21 ' A' ' 18' ' ' LEU . 85.6 mt -66.06 -41.6 45.68 Favored Pre-proline 0 C--N 1.353 0.723 0 CA-C-N 122.335 3.068 . . . . 0.62 112.632 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -61.82 -31.76 85.46 Favored 'Trans proline' 0 C--N 1.361 1.185 0 CA-C-N 124.997 2.82 . . . . 0.53000000000000003 108.863 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.4 t -64.82 -51.85 59.94 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 119.065 -1.054 . . . . 0.62 109.007 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.6 m -64.83 -38.14 89.97 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 119.886 -0.725 . . . . 0.62 111.119 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 75' ' ' VAL . 69.9 m -108.78 80.42 1.33 Allowed 'General case' 0 C--N 1.349 0.556 0 N-CA-C 108.471 -0.937 . . . . 0.81999999999999995 108.471 172.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.34 77.49 0.01 OUTLIER Glycine 0 C--N 1.355 1.616 0 CA-C-O 119.299 -0.723 . . . . 0.62 112.276 177.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' CYS . 21.9 m -105.42 -159.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 107.337 -1.357 . . . . 0.62 107.337 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -112.35 67.1 0.65 Allowed 'General case' 0 C--N 1.356 0.885 0 CA-C-N 121.062 1.756 . . . . 0.68000000000000005 110.68 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.43 HG23 HG22 ' A' ' 35' ' ' VAL . 6.4 pt -112.08 132.02 22.23 Favored Pre-proline 0 C--N 1.358 0.961 0 CA-C-O 116.547 -1.692 . . . . 0.62 109.267 176.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -77.38 -36.38 1.32 Allowed 'Trans proline' 0 C--N 1.362 1.254 0 CA-C-N 122.945 2.087 . . . . 0.53000000000000003 111.666 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -71.87 158.23 36.44 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 108.685 -0.857 . . . . 0.62 108.685 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -106.06 34.22 3.44 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 120.649 -0.42 . . . . 0.62 110.72 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.576 HG23 ' HB3' ' A' ' 51' ' ' LEU . 1.5 mt 47.14 40.35 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.627 0 CA-C-O 118.833 -0.603 . . . . 0.62 111.861 174.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.8 m -98.25 141.2 22.56 Favored Pre-proline 0 C--N 1.35 0.591 0 CA-C-O 116.236 -1.84 . . . . 0.62 111.025 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.458 ' HA ' ' HG3' ' A' ' 52' ' ' LYS . 88.8 Cg_endo -72.22 67.68 3.41 Favored 'Trans proline' 0 C--N 1.363 1.296 0 CA-C-N 122.8 2.036 . . . . 0.53000000000000003 111.161 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -165.42 -53.43 0.03 OUTLIER 'General case' 0 C--N 1.352 0.685 0 CA-C-O 119.296 -0.383 . . . . 0.62 110.208 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.5 t -37.52 105.36 0.04 OUTLIER 'General case' 0 C--N 1.354 0.793 0 N-CA-C 114.416 1.265 . . . . 0.62 114.416 176.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -63.49 144.89 56.61 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 120.757 1.617 . . . . 0.70999999999999996 110.268 175.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 C--N 1.358 0.977 0 CA-C-N 119.357 0.981 . . . . 0.81999999999999995 112.492 174.131 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 pp . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 113.796 1.036 . . . . 0.62 113.796 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -100.34 167.37 10.45 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 118.043 0.383 . . . . 0.62 111.027 -176.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.9 m -59.77 -38.4 81.74 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 112.668 0.618 . . . . 0.81999999999999995 112.668 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -49.47 -47.39 36.11 Favored Glycine 0 C--N 1.35 1.337 0 C-N-CA 119.572 -1.299 . . . . 0.62 112.817 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -64.09 -43.46 95.33 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 117.981 0.891 . . . . 0.68000000000000005 109.803 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.1 t -57.83 -57.61 9.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 107.095 -1.446 . . . . 0.62 107.095 -175.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.4 m -58.13 -47.02 84.59 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 123.688 0.617 . . . . 0.62 110.791 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.8 m -58.47 -50.9 72.07 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 120.082 -0.647 . . . . 0.62 109.607 -174.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -52.06 -45.61 64.81 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 119.649 -0.82 . . . . 0.68000000000000005 111.594 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.319 4.3 pp -94.31 28.53 2.5 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 112.677 0.621 . . . . 0.62 112.677 -177.081 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.52 -47.13 98.66 Favored Pre-proline 0 C--N 1.353 0.735 0 CA-C-O 116.422 -1.751 . . . . 0.62 112.384 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -66.13 -28.01 48.89 Favored 'Trans proline' 0 C--N 1.359 1.126 0 CA-C-N 123.932 2.44 . . . . 0.53000000000000003 110.417 -177.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.6 m -60.56 -35.02 75.05 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 118.879 -1.129 . . . . 0.81999999999999995 109.766 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.463 HD22 HD11 ' A' ' 58' ' ' ILE . 47.9 mt -53.87 -48.53 69.94 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 120.515 1.507 . . . . 0.62 107.87 -177.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.78 84.63 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 120.631 -0.428 . . . . 0.62 110.818 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -60.67 -40.48 92.26 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.966 -1.016 . . . . 0.62 111.679 174.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.8 mt -66.05 -40.99 91.4 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.6 1.545 . . . . 0.62 110.432 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -56.62 -26.12 55.0 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 117.942 -1.028 . . . . 0.76000000000000001 110.956 173.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 83.31 59.15 0.01 OUTLIER 'General case' 0 C--N 1.355 0.841 0 CA-C-N 119.727 1.149 . . . . 0.68000000000000005 108.512 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.1 p -148.34 -67.9 0.23 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 109.718 -0.475 . . . . 0.62 109.718 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -91.22 142.09 15.96 Favored Glycine 0 C--N 1.355 1.625 0 CA-C-O 116.397 -2.335 . . . . 0.62 110.069 -176.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -71.74 -168.57 0.37 Allowed 'Trans proline' 0 C--N 1.356 0.94 0 CA-C-N 122.635 3.217 . . . . 0.53000000000000003 112.837 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.86 -36.88 70.26 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.599 -0.889 . . . . 0.62 108.599 -178.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.92 -124.93 37.27 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-O 117.61 -1.661 . . . . 0.62 110.13 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -99.05 25.49 6.7 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 119.68 1.74 . . . . 0.76000000000000001 110.39 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.5 t -60.59 -48.15 83.04 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-N 119.643 1.11 . . . . 0.81999999999999995 108.94 176.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.1 m -51.37 -41.6 60.77 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.895 -1.05 . . . . 0.81999999999999995 112.877 -175.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.49 -51.87 56.21 Favored Glycine 0 C--N 1.351 1.412 0 C-N-CA 119.103 -1.522 . . . . 0.62 110.07 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.87 -39.77 95.91 Favored Glycine 0 C--N 1.352 1.457 0 C-N-CA 119.885 -1.15 . . . . 0.62 111.88 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.55 -60.07 3.33 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 N-CA-C 105.902 -1.888 . . . . 0.62 105.902 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -46.36 -38.62 9.1 Favored 'General case' 0 C--O 1.224 -0.289 0 O-C-N 119.854 -1.779 . . . . 0.62 111.549 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.71 -48.94 70.29 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.439 1.018 . . . . 0.62 112.222 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 pp -60.6 -31.69 70.85 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 120.634 1.561 . . . . 0.62 108.906 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.23 -44.98 96.68 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 CA-C-N 119.395 0.998 . . . . 0.62 111.099 -175.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -53.86 -45.31 70.95 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 108.266 -1.012 . . . . 0.68000000000000005 108.266 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.9 m -89.52 59.64 4.84 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 108.856 -0.794 . . . . 0.62 108.856 172.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.93 -57.4 0.1 Allowed 'General case' 0 C--N 1.349 0.572 0 N-CA-C 106.729 -1.582 . . . . 0.62 106.729 177.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.6 mmm-85 -66.94 66.69 0.06 Allowed 'General case' 0 C--N 1.355 0.818 0 CA-C-N 119.192 0.905 . . . . 0.76000000000000001 112.984 177.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.9 m -140.32 40.99 1.92 Allowed 'General case' 0 C--N 1.351 0.662 0 N-CA-C 106.391 -1.707 . . . . 0.62 106.391 169.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.2 m 62.99 -66.26 0.09 Allowed 'General case' 0 C--N 1.355 0.844 0 N-CA-C 113.746 1.017 . . . . 0.62 113.746 -175.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -78.18 -49.77 13.19 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 119.691 1.132 . . . . 0.70999999999999996 110.238 -171.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -52.12 -50.55 61.46 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 119.396 -0.922 . . . . 0.70999999999999996 109.888 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . 0.273 0.0 OUTLIER -61.13 -33.86 74.07 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 118.161 -0.923 . . . . 0.76000000000000001 111.876 176.387 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -61.62 -42.66 99.19 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 121.455 1.934 . . . . 0.68000000000000005 109.033 177.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.5 mm -71.37 -46.08 66.31 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 N-CA-C 108.199 -1.037 . . . . 0.62 108.199 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.18 -52.06 47.82 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 119.059 0.845 . . . . 0.62 109.144 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.1 t -47.71 -47.94 29.76 Favored 'General case' 0 C--N 1.346 0.452 0 N-CA-C 112.85 0.685 . . . . 0.81999999999999995 112.85 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.9 m -69.16 -47.38 65.13 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 108.392 -0.966 . . . . 0.62 108.392 -177.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.6 m -52.6 -41.5 63.71 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 119.836 -0.745 . . . . 0.81999999999999995 110.62 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.85 -46.67 71.12 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 120.257 -0.577 . . . . 0.62 109.954 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -51.8 -42.98 62.89 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 119.22 -0.992 . . . . 0.62 108.534 175.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.3 m -65.75 -45.16 83.6 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 118.8 -0.619 . . . . 0.62 111.497 176.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.64 -46.01 91.91 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.358 0.981 . . . . 0.62 109.754 -177.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.41 -44.83 77.85 Favored 'General case' 0 C--N 1.351 0.674 0 N-CA-C 109.045 -0.724 . . . . 0.62 109.045 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.24 69.13 1.98 Allowed Glycine 0 C--N 1.353 1.486 0 N-CA-C 110.006 -1.238 . . . . 0.62 110.006 175.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -172.52 -53.85 0.02 OUTLIER 'General case' 0 C--N 1.354 0.783 0 CA-C-N 117.94 0.87 . . . . 0.62 110.596 -178.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.463 HD11 HD22 ' A' ' 15' ' ' LEU . 22.3 mm -47.34 126.4 2.33 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-O 117.969 -1.015 . . . . 0.62 109.004 177.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.7 t -70.5 -44.51 67.48 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 121.07 1.759 . . . . 0.62 114.327 -175.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -102.92 53.56 0.75 Allowed Glycine 0 C--N 1.352 1.453 0 N-CA-C 107.477 -2.249 . . . . 0.62 107.477 -174.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.3 tt -77.08 143.28 13.13 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 CA-C-O 117.741 -1.123 . . . . 0.62 112.264 -170.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -100.37 116.09 31.52 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 107.717 -1.216 . . . . 0.68000000000000005 107.717 172.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.3 tp -57.1 -47.13 81.82 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 118.983 0.81 . . . . 0.62 111.671 -175.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.08 -39.2 94.06 Favored Glycine 0 C--N 1.353 1.491 0 C-N-CA 119.577 -1.297 . . . . 0.62 111.323 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -69.23 -43.31 74.3 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.379 1.589 . . . . 0.62 109.522 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.51 -56.07 13.23 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 119.772 1.169 . . . . 0.62 109.157 173.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.93 -7.63 55.03 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 114.945 1.461 . . . . 0.62 114.945 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.59 -3.32 71.64 Favored Glycine 0 C--N 1.353 1.487 0 CA-C-O 117.462 -1.744 . . . . 0.62 113.423 173.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 96.6 mt -60.02 -42.45 90.33 Favored Pre-proline 0 C--N 1.354 0.764 0 CA-C-N 121.656 2.728 . . . . 0.62 113.26 179.035 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 38.1 Cg_exo -57.59 -49.68 12.78 Favored 'Trans proline' 0 C--N 1.357 0.992 0 CA-C-N 123.636 2.334 . . . . 0.53000000000000003 110.24 178.418 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.1 m -64.86 -43.69 92.14 Favored 'General case' 0 CA--C 1.506 -0.746 0 O-C-N 123.899 0.749 . . . . 0.62 109.679 -175.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.0 m -62.35 -52.22 64.49 Favored 'General case' 0 C--N 1.349 0.578 0 N-CA-C 108.339 -0.986 . . . . 0.62 108.339 -176.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 80.7 m -98.83 69.67 1.82 Allowed 'General case' 0 C--N 1.353 0.745 0 N-CA-C 106.536 -1.653 . . . . 0.81999999999999995 106.536 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -27.06 101.31 0.01 OUTLIER Glycine 0 C--N 1.352 1.469 0 CA-C-O 117.637 -1.646 . . . . 0.62 115.542 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.9 m -139.69 154.85 24.58 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 CA-C-N 119.778 1.789 . . . . 0.62 110.388 177.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -88.71 65.33 7.68 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.296 0.953 . . . . 0.68000000000000005 111.36 -173.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 16.1 pt -101.55 134.4 20.26 Favored Pre-proline 0 C--N 1.355 0.824 0 CA-C-O 115.316 -2.278 . . . . 0.62 110.693 -177.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -66.8 -49.52 1.51 Allowed 'Trans proline' 0 C--N 1.363 1.314 0 CA-C-N 125.054 2.841 . . . . 0.53000000000000003 110.584 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -63.61 153.99 34.18 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.116 -1.421 . . . . 0.62 109.833 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -107.52 27.64 8.93 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.833 1.197 . . . . 0.62 110.809 173.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 mt 52.09 42.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.474 0 CA-C-N 120.297 1.408 . . . . 0.62 110.234 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.8 t -105.52 139.06 19.8 Favored Pre-proline 0 C--N 1.354 0.802 0 CA-C-O 115.274 -2.298 . . . . 0.62 108.448 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.6 70.95 1.98 Allowed 'Trans proline' 0 C--N 1.355 0.876 0 CA-C-N 124.492 2.64 . . . . 0.53000000000000003 110.998 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.2 m -170.76 -53.71 0.02 OUTLIER 'General case' 0 C--N 1.355 0.833 0 CA-C-O 118.779 -0.629 . . . . 0.62 110.472 -175.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.0 t -37.19 116.8 0.48 Allowed 'General case' 0 C--N 1.356 0.863 0 CA-C-O 118.267 -0.873 . . . . 0.62 111.621 178.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -90.2 146.36 24.32 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 120.783 1.629 . . . . 0.70999999999999996 107.461 172.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 57.1 m . . . . . 0 C--N 1.353 0.741 0 CA-C-N 118.718 0.69 . . . . 0.81999999999999995 110.759 171.264 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.2 mm . . . . . 0 N--CA 1.468 0.464 0 N-CA-C 105.687 -1.968 . . . . 0.62 105.687 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.2 p -112.33 149.63 32.16 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 121.951 2.159 . . . . 0.62 112.776 178.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.1 t -65.06 -28.48 69.5 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-O 117.338 -1.315 . . . . 0.81999999999999995 112.221 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.47 -46.04 88.4 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-N 120.504 1.502 . . . . 0.62 111.829 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -61.89 -45.69 92.64 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 117.922 0.861 . . . . 0.68000000000000005 109.395 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.4 HG13 HD22 ' A' ' 34' ' ' LEU . 93.7 t -59.53 -49.56 83.18 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 N-CA-C 106.304 -1.739 . . . . 0.62 106.304 -178.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.0 m -51.1 -46.52 61.86 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 121.748 -0.595 . . . . 0.62 109.855 -176.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.7 m -54.19 -43.62 70.87 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 120.271 -0.571 . . . . 0.62 111.741 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -58.42 -33.74 70.01 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 119.127 0.876 . . . . 0.68000000000000005 112.55 177.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -77.78 -1.02 29.35 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 115.488 -2.196 . . . . 0.62 110.46 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.37 -54.78 5.87 Favored Pre-proline 0 C--N 1.359 0.98 0 CA-C-N 122.509 2.413 . . . . 0.62 112.888 -174.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.08 -22.78 18.98 Favored 'Trans proline' 0 C--N 1.362 1.252 0 CA-C-N 122.011 1.754 . . . . 0.53000000000000003 111.901 -178.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.0 m -73.67 -40.16 63.89 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.962 -1.018 . . . . 0.81999999999999995 108.404 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.425 HD22 HD11 ' A' ' 58' ' ' ILE . 26.1 mt -42.89 -44.02 4.35 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.486 1.039 . . . . 0.62 109.961 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.72 98.32 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 121.794 -0.566 . . . . 0.62 111.273 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -61.97 -39.76 93.25 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 118.772 0.714 . . . . 0.62 110.641 173.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.7 mt -57.5 -34.47 69.1 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 119.1 0.864 . . . . 0.62 109.961 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.5 ttt85 -85.71 22.04 1.72 Allowed 'General case' 0 C--N 1.354 0.781 0 CA-C-O 118.946 -0.55 . . . . 0.76000000000000001 111.893 174.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 39.82 29.7 0.05 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-N 121.221 1.828 . . . . 0.68000000000000005 115.309 -174.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.2 m -106.89 -57.65 2.04 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 119.431 1.014 . . . . 0.62 110.204 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.69 153.54 17.46 Favored Glycine 0 C--N 1.354 1.547 0 CA-C-O 117.512 -1.716 . . . . 0.62 110.127 -177.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -72.45 -178.8 3.56 Favored 'Trans proline' 0 C--N 1.357 1.017 0 CA-C-N 121.423 2.612 . . . . 0.53000000000000003 112.755 -178.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mp -74.9 -53.86 8.28 Favored 'General case' 0 C--N 1.351 0.64 0 N-CA-C 109.015 -0.735 . . . . 0.62 109.015 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.58 -120.53 7.78 Favored Glycine 0 C--N 1.354 1.53 0 N-CA-C 110.313 -1.115 . . . . 0.62 110.313 -176.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -76.85 -2.94 35.95 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 119.083 1.442 . . . . 0.76000000000000001 114.479 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.6 t -46.01 -47.74 16.76 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 121.028 1.74 . . . . 0.81999999999999995 109.841 172.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 67.6 m -54.08 -37.61 64.43 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 118.683 0.674 . . . . 0.81999999999999995 111.461 -175.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.22 -48.26 87.0 Favored Glycine 0 C--N 1.351 1.401 0 C-N-CA 119.757 -1.211 . . . . 0.62 110.814 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.05 -47.61 86.1 Favored Glycine 0 C--N 1.353 1.515 0 N-CA-C 108.947 -1.661 . . . . 0.62 108.947 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.4 t -52.15 -44.38 40.46 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 109.094 -0.706 . . . . 0.62 109.094 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -56.73 -47.1 80.76 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 121.625 -0.672 . . . . 0.62 111.003 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.12 -28.22 68.94 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 119.958 1.253 . . . . 0.62 111.656 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.4 HD22 HG13 ' A' ' 7' ' ' VAL . 24.4 mt -64.14 -31.52 72.75 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.915 1.234 . . . . 0.62 109.538 175.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.1 t -54.97 -51.25 55.45 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 CA-C-N 120.255 1.389 . . . . 0.62 108.935 177.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -68.49 -39.45 81.29 Favored 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 107.838 -1.171 . . . . 0.68000000000000005 107.838 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 m -79.4 62.1 3.64 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 106.643 -1.614 . . . . 0.62 106.643 172.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -172.24 -54.13 0.02 OUTLIER 'General case' 0 C--N 1.353 0.736 0 N-CA-C 109.366 -0.605 . . . . 0.62 109.366 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . 0.25 1.4 mmp_? -79.09 59.01 2.6 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 121.528 -0.732 . . . . 0.76000000000000001 112.349 174.284 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 m -147.08 39.87 1.03 Allowed 'General case' 0 C--N 1.358 0.935 0 N-CA-C 107.562 -1.273 . . . . 0.62 107.562 169.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.6 m 52.98 -75.01 0.01 OUTLIER 'General case' 0 C--N 1.356 0.882 0 N-CA-C 115.919 1.822 . . . . 0.62 115.919 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -71.47 -40.66 70.14 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 121.179 1.809 . . . . 0.70999999999999996 108.586 -175.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -45.58 -52.49 10.48 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-O 117.671 -1.157 . . . . 0.70999999999999996 111.732 176.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -35.9 76.15 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-N 121.544 1.975 . . . . 0.76000000000000001 109.785 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -61.89 -41.93 98.47 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 119.098 -1.041 . . . . 0.68000000000000005 108.937 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.0 mm -72.04 -49.44 44.07 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 N-CA-C 108.654 -0.869 . . . . 0.62 108.654 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.34 -63.49 1.13 Allowed 'General case' 0 C--N 1.353 0.732 0 CA-C-N 120.112 1.324 . . . . 0.62 109.842 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.5 p -47.65 -44.19 26.79 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 119.844 1.202 . . . . 0.81999999999999995 113.047 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.428 HG23 ' HB2' ' A' ' 87' ' ' CYS . 13.5 p -68.24 -48.83 64.07 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-N 119.86 1.209 . . . . 0.62 110.027 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 51.7 t -52.36 -40.58 62.16 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 119.114 -1.035 . . . . 0.81999999999999995 110.567 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.6 mt -77.94 -42.23 33.66 Favored 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 119.849 -0.74 . . . . 0.62 110.208 -175.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -47.04 -48.62 22.18 Favored 'General case' 0 C--N 1.347 0.494 0 N-CA-C 108.576 -0.898 . . . . 0.62 108.576 171.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.5 t -63.35 -48.98 75.69 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.693 -0.67 . . . . 0.62 110.954 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.62 -54.55 40.02 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.587 1.085 . . . . 0.62 109.783 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.56 -51.04 29.68 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.251 -0.648 . . . . 0.62 109.251 -177.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.16 -38.54 94.58 Favored Glycine 0 C--N 1.354 1.56 0 C-N-CA 120.06 -1.066 . . . . 0.62 111.887 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.68 -29.84 69.22 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 118.88 1.34 . . . . 0.62 112.602 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.425 HD11 HD22 ' A' ' 15' ' ' LEU . 47.8 mm -61.64 136.84 24.63 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-N 120.31 1.414 . . . . 0.62 110.751 -175.071 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.9 p -69.06 -53.07 22.33 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 119.406 1.003 . . . . 0.62 113.524 -178.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -99.77 40.83 2.32 Favored Glycine 0 C--N 1.355 1.588 0 CA-C-N 119.317 0.962 . . . . 0.62 110.782 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.9 tp -52.02 122.17 2.41 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-O 117.0 -1.476 . . . . 0.62 112.009 -175.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -100.49 115.51 30.25 Favored 'General case' 0 C--N 1.359 1.009 0 CA-C-N 121.386 1.903 . . . . 0.68000000000000005 108.895 171.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.2 tp -54.13 -45.43 71.93 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-N 118.928 0.786 . . . . 0.62 111.419 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.19 -44.14 93.3 Favored Glycine 0 C--N 1.354 1.576 0 C-N-CA 120.212 -0.994 . . . . 0.62 113.331 -176.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -72.66 -39.74 66.88 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 119.051 1.426 . . . . 0.62 109.244 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.5 -57.29 13.33 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.697 1.135 . . . . 0.62 110.695 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.29 -28.35 66.2 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-O 117.98 -1.009 . . . . 0.62 111.17 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -80.22 1.49 80.53 Favored Glycine 0 C--N 1.354 1.556 0 CA-C-O 117.765 -1.575 . . . . 0.62 113.188 173.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.78 -49.26 90.28 Favored Pre-proline 0 C--N 1.355 0.829 0 CA-C-N 121.161 2.48 . . . . 0.62 110.922 -177.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -65.47 -31.85 50.57 Favored 'Trans proline' 0 C--N 1.365 1.447 0 CA-C-N 124.499 2.642 . . . . 0.53000000000000003 111.281 177.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 m -67.89 -39.07 83.7 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 118.55 0.614 . . . . 0.62 111.552 -178.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 80.4 m -62.27 -40.34 95.9 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 107.907 -1.145 . . . . 0.62 107.907 -177.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.2 m -116.91 88.07 2.83 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 106.664 -1.606 . . . . 0.81999999999999995 106.664 172.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.71 127.65 3.11 Favored Glycine 0 C--N 1.356 1.653 0 CA-C-O 118.465 -1.186 . . . . 0.62 113.224 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -151.42 161.41 3.34 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 CA-C-N 118.725 1.263 . . . . 0.62 107.765 -177.086 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -84.13 54.52 2.97 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 120.909 1.686 . . . . 0.68000000000000005 110.497 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.0 mt -91.31 120.89 68.28 Favored Pre-proline 0 C--N 1.355 0.813 0 CA-C-O 116.374 -1.774 . . . . 0.62 107.878 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -86.97 65.27 4.42 Favored 'Trans proline' 0 C--N 1.363 1.301 0 CA-C-N 123.616 2.327 . . . . 0.53000000000000003 111.474 177.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . 0.251 23.7 p90 -179.38 146.48 0.28 Allowed 'General case' 0 C--O 1.217 -0.647 0 CA-C-O 118.528 -0.749 . . . . 0.62 109.682 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -112.17 50.27 0.87 Allowed 'General case' 0 C--N 1.353 0.74 0 CA-C-N 120.534 1.516 . . . . 0.62 107.013 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.4 mt 29.75 59.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.349 0.553 0 CA-C-N 114.672 -1.149 . . . . 0.62 113.317 175.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.2 m -83.55 134.58 44.78 Favored Pre-proline 0 C--N 1.352 0.684 0 CA-C-O 116.091 -1.909 . . . . 0.62 109.269 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -65.02 11.97 0.11 Allowed 'Trans proline' 0 C--N 1.363 1.295 0 CA-C-N 123.648 2.338 . . . . 0.53000000000000003 116.209 170.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.5 p -140.95 26.91 2.02 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 121.135 1.789 . . . . 0.62 111.468 176.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.0 t -79.42 146.4 32.81 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 119.893 1.224 . . . . 0.62 112.532 -177.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -88.31 145.08 26.03 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 107.771 -1.196 . . . . 0.70999999999999996 107.771 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.428 ' HB2' HG23 ' A' ' 49' ' ' THR . 73.8 m . . . . . 0 C--N 1.355 0.839 0 CA-C-N 119.363 0.983 . . . . 0.81999999999999995 112.739 176.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.4 mm . . . . . 0 CA--C 1.505 -0.755 0 N-CA-C 108.394 -0.965 . . . . 0.62 108.394 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.8 m -143.69 150.27 38.43 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 118.742 0.701 . . . . 0.62 109.419 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.9 m -54.07 -32.41 54.58 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-O 117.918 -1.039 . . . . 0.81999999999999995 113.575 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.85 -50.04 51.91 Favored Glycine 0 C--N 1.351 1.405 0 CA-C-N 120.67 1.577 . . . . 0.62 112.562 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -57.78 -35.1 70.33 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 118.217 1.009 . . . . 0.68000000000000005 110.679 177.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.2 t -75.17 -51.99 19.91 Favored 'Isoleucine or valine' 0 C--N 1.35 0.602 0 N-CA-C 109.257 -0.646 . . . . 0.62 109.257 -172.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 m -56.54 -38.6 72.09 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 118.103 0.411 . . . . 0.62 110.24 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.1 m -65.17 -53.53 43.44 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 120.586 -0.446 . . . . 0.62 110.722 -177.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -60.92 -41.95 97.17 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 119.759 -0.776 . . . . 0.68000000000000005 110.18 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.439 HD22 ' CD2' ' A' ' 51' ' ' LEU 0.307 5.5 mp -79.71 18.67 0.74 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.426 -1.273 . . . . 0.62 114.086 179.379 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.99 -54.02 54.8 Favored Pre-proline 0 C--N 1.353 0.737 0 CA-C-N 121.865 2.12 . . . . 0.62 112.821 -175.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -70.14 -28.57 23.26 Favored 'Trans proline' 0 C--N 1.362 1.287 0 CA-C-N 124.056 2.484 . . . . 0.53000000000000003 110.394 -177.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.6 m -60.56 -38.79 85.71 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 108.697 -0.853 . . . . 0.81999999999999995 108.697 177.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.5 mt -54.95 -44.94 74.78 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 119.88 1.218 . . . . 0.62 109.011 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.98 88.07 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 119.714 -0.795 . . . . 0.62 110.305 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -62.84 -37.96 88.89 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 112.722 0.638 . . . . 0.62 112.722 175.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.44 -40.28 96.08 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 119.224 0.92 . . . . 0.62 109.832 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -65.81 -10.77 40.75 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 118.16 -0.924 . . . . 0.76000000000000001 112.233 175.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.9 t30 63.58 58.82 1.26 Allowed 'General case' 0 C--N 1.356 0.871 0 CA-C-N 120.426 1.466 . . . . 0.68000000000000005 108.846 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -159.87 -49.98 0.05 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.058 -1.448 . . . . 0.62 113.015 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -98.94 147.91 18.65 Favored Glycine 0 C--N 1.359 1.839 0 CA-C-N 121.407 1.912 . . . . 0.62 109.177 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -72.72 136.5 25.68 Favored 'Trans proline' 0 C--N 1.354 0.865 0 CA-C-N 121.418 2.609 . . . . 0.53000000000000003 114.799 -174.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -58.95 -32.59 69.76 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 120.342 1.428 . . . . 0.62 112.083 173.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.15 -132.11 19.17 Favored Glycine 0 C--N 1.348 1.218 0 CA-C-O 117.877 -1.513 . . . . 0.62 113.078 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -91.25 31.24 1.15 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.639 1.72 . . . . 0.76000000000000001 112.241 -177.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 46.5 t -55.12 -39.93 69.94 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 120.126 1.33 . . . . 0.81999999999999995 110.242 175.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.7 m -47.71 -38.58 15.55 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 112.414 0.524 . . . . 0.81999999999999995 112.414 -172.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.09 -51.04 58.29 Favored Glycine 0 C--N 1.35 1.342 0 C-N-CA 119.946 -1.121 . . . . 0.62 111.823 178.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.0 -31.28 80.3 Favored Glycine 0 C--N 1.353 1.482 0 C-N-CA 119.7 -1.238 . . . . 0.62 111.713 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.42 -53.42 47.57 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 N-CA-C 106.898 -1.519 . . . . 0.62 106.898 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -49.89 -48.36 51.48 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 116.549 -0.296 . . . . 0.62 110.935 -176.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.61 -48.04 58.05 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 119.532 -0.867 . . . . 0.62 110.714 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.7 mt -67.61 -28.73 67.99 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 118.293 -0.861 . . . . 0.62 112.863 -177.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.2 t -47.85 -46.82 12.17 Favored 'Isoleucine or valine' 0 C--N 1.348 0.51 0 N-CA-C 107.439 -1.319 . . . . 0.62 107.439 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -55.01 -44.54 74.66 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 109.158 -0.682 . . . . 0.68000000000000005 109.158 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 94.9 p -91.47 47.94 1.43 Allowed 'General case' 0 C--N 1.35 0.595 0 CA-C-O 119.403 -0.332 . . . . 0.62 110.737 171.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -158.89 48.44 0.33 Allowed 'General case' 0 C--N 1.348 0.502 0 N-CA-C 109.228 -0.656 . . . . 0.62 109.228 171.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.85 -41.36 0.15 Allowed 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 117.199 -1.381 . . . . 0.76000000000000001 112.189 -173.016 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.81 46.31 0.01 OUTLIER 'General case' 0 C--N 1.36 1.031 0 CA-C-N 122.01 2.186 . . . . 0.62 116.543 175.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.7 m 67.46 -57.34 0.44 Allowed 'General case' 0 N--CA 1.478 0.97 0 O-C-N 118.672 -2.517 . . . . 0.62 115.777 176.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -79.87 -67.26 0.78 Allowed 'General case' 0 C--N 1.352 0.702 0 N-CA-C 107.1 -1.445 . . . . 0.70999999999999996 107.1 -177.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 44' ' ' ARG . 3.2 p30 -48.28 -44.96 34.18 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 110.016 -0.364 . . . . 0.70999999999999996 110.016 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.426 ' N ' ' OD1' ' A' ' 43' ' ' ASP . 46.2 ttp180 -42.06 -50.37 4.69 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 113.324 0.861 . . . . 0.76000000000000001 113.324 176.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -76.25 -39.4 54.55 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 109.048 -0.723 . . . . 0.68000000000000005 109.048 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mp -53.95 -50.26 54.47 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-N 118.701 0.682 . . . . 0.62 109.966 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.01 -43.06 79.71 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 108.293 -1.003 . . . . 0.62 108.293 -174.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.2 t -53.03 -55.42 23.81 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 118.357 -0.83 . . . . 0.81999999999999995 110.963 175.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.8 t -65.04 -38.82 92.12 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.431 1.468 . . . . 0.62 111.491 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 94.7 m -60.72 -47.94 84.05 Favored 'General case' 0 CA--C 1.505 -0.756 0 C-N-CA 119.29 -0.964 . . . . 0.81999999999999995 109.583 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.562 ' HB3' HG23 ' A' ' 81' ' ' ILE . 19.6 mt -66.05 -52.7 46.58 Favored 'General case' 0 CA--C 1.504 -0.804 0 C-N-CA 119.097 -1.041 . . . . 0.62 109.943 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.517 ' HG3' ' HA ' ' A' ' 83' ' ' PRO . 55.4 tttm -39.34 -42.88 1.1 Allowed 'General case' 0 C--N 1.344 0.357 0 C-N-CA 120.367 -0.533 . . . . 0.62 110.083 172.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.4 m -71.48 -50.3 32.91 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 118.419 0.554 . . . . 0.62 110.951 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.51 -44.57 80.87 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 118.865 0.757 . . . . 0.62 110.165 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.32 -59.54 4.98 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 108.878 -0.786 . . . . 0.62 108.878 173.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.91 -23.42 61.37 Favored Glycine 0 C--N 1.35 1.339 0 C-N-CA 120.062 -1.066 . . . . 0.62 113.289 -174.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.69 -25.97 67.74 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.539 1.67 . . . . 0.62 112.134 176.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.4 mt -80.4 132.03 32.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 CA-C-N 119.783 1.174 . . . . 0.62 109.168 -174.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.0 m -76.33 -49.33 17.19 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-N 120.21 1.368 . . . . 0.62 109.892 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.49 40.16 2.57 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-N 119.237 0.926 . . . . 0.62 112.406 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.8 tt -64.2 138.64 22.71 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 CA-C-N 119.469 1.635 . . . . 0.62 110.54 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -92.22 123.02 35.25 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.406 1.003 . . . . 0.68000000000000005 109.288 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.7 -50.92 63.11 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 119.269 0.941 . . . . 0.62 109.254 -174.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.67 -43.24 94.48 Favored Glycine 0 C--N 1.351 1.414 0 CA-C-O 118.369 -1.239 . . . . 0.62 111.863 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -70.87 -31.08 67.64 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 119.709 1.755 . . . . 0.62 110.6 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.48 -51.51 68.17 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 120.623 1.556 . . . . 0.62 109.45 171.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.37 -26.63 62.88 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 118.767 -1.173 . . . . 0.62 111.595 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -78.47 -22.3 67.65 Favored Glycine 0 C--N 1.353 1.496 0 CA-C-O 118.47 -1.183 . . . . 0.62 113.061 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.411 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 51.9 tp -49.35 -50.56 64.16 Favored Pre-proline 0 C--N 1.348 0.531 0 CA-C-N 120.61 2.205 . . . . 0.62 113.987 -178.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 44.2 Cg_endo -64.26 -21.71 67.07 Favored 'Trans proline' 0 C--N 1.357 0.981 0 CA-C-N 124.475 2.634 . . . . 0.53000000000000003 111.866 177.306 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.7 t -77.05 -52.95 8.44 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.848 1.204 . . . . 0.62 108.89 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.5 m -60.28 -47.39 86.22 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 109.31 -0.626 . . . . 0.62 109.31 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 38.6 m -92.49 69.33 4.94 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 107.708 -1.219 . . . . 0.81999999999999995 107.708 169.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -31.94 108.51 0.03 OUTLIER Glycine 0 C--N 1.35 1.355 0 CA-C-O 117.988 -1.451 . . . . 0.62 113.625 175.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 m -143.94 155.76 15.77 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 CA-C-N 119.606 1.703 . . . . 0.62 110.618 176.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -88.32 57.47 4.27 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 119.367 0.985 . . . . 0.68000000000000005 110.706 -176.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 13.4 pt -97.28 135.16 21.97 Favored Pre-proline 0 C--N 1.358 0.952 0 CA-C-O 117.19 -1.386 . . . . 0.62 110.193 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -87.54 51.41 2.15 Favored 'Trans proline' 0 C--N 1.357 1.023 0 CA-C-N 122.45 1.911 . . . . 0.53000000000000003 112.173 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -163.67 142.06 7.72 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-O 117.496 -1.24 . . . . 0.62 110.109 176.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -87.94 28.48 1.03 Allowed 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.741 1.609 . . . . 0.62 113.408 -175.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.562 HG23 ' HB3' ' A' ' 51' ' ' LEU . 5.3 mt 44.69 36.09 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.712 0 O-C-N 120.865 -1.147 . . . . 0.62 110.62 177.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.2 m -95.43 130.53 31.9 Favored Pre-proline 0 C--N 1.353 0.751 0 CA-C-O 116.086 -1.911 . . . . 0.62 108.022 -171.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.517 ' HA ' ' HG3' ' A' ' 52' ' ' LYS . 67.0 Cg_endo -75.18 66.29 6.19 Favored 'Trans proline' 0 C--N 1.363 1.308 0 CA-C-N 124.349 2.589 . . . . 0.53000000000000003 110.77 -178.145 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.6 p -177.84 -53.14 0.01 OUTLIER 'General case' 0 C--N 1.354 0.773 0 CA-C-O 118.362 -0.828 . . . . 0.62 110.717 -174.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.2 t -42.99 143.54 0.73 Allowed 'General case' 0 C--N 1.357 0.9 0 CA-C-N 119.415 1.007 . . . . 0.62 112.375 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -71.28 127.32 32.18 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 118.258 -0.877 . . . . 0.70999999999999996 108.825 176.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 78.0 m . . . . . 0 C--N 1.354 0.775 0 CA-C-N 119.694 1.134 . . . . 0.81999999999999995 110.343 170.067 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 118.413 -0.803 . . . . 0.62 112.719 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 m -161.69 148.49 14.21 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 120.43 1.468 . . . . 0.62 111.298 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 85.1 m -53.82 -33.59 56.63 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 115.128 1.529 . . . . 0.81999999999999995 115.128 -178.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.01 -50.2 62.88 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-N 120.989 1.722 . . . . 0.62 111.03 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -60.85 -45.11 95.78 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 118.171 0.985 . . . . 0.68000000000000005 109.668 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.473 HG13 HD13 ' A' ' 34' ' ' LEU . 89.6 t -58.41 -56.25 17.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 107.633 -1.247 . . . . 0.62 107.633 -177.139 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.0 m -59.21 -39.38 82.49 Favored 'General case' 0 C--N 1.347 0.496 0 N-CA-C 109.14 -0.689 . . . . 0.62 109.14 -174.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.1 m -63.62 -52.11 62.31 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 120.225 -0.59 . . . . 0.62 110.218 -179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -53.93 -32.02 52.25 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 119.851 -0.74 . . . . 0.68000000000000005 111.393 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.733 HD11 HD23 ' A' ' 51' ' ' LEU . 96.3 mt -71.16 2.92 3.98 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 116.134 -1.888 . . . . 0.62 113.338 177.292 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.72 -56.17 9.11 Favored Pre-proline 0 C--N 1.358 0.941 0 CA-C-N 123.508 2.867 . . . . 0.62 115.152 -172.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.33 -15.58 22.47 Favored 'Trans proline' 0 C--N 1.362 1.246 0 CA-C-N 123.776 2.384 . . . . 0.53000000000000003 111.248 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.7 m -73.51 -48.98 29.0 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 119.969 1.259 . . . . 0.81999999999999995 107.656 176.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.8 mt -46.05 -44.6 15.49 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 109.358 -0.608 . . . . 0.62 109.358 178.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.81 -44.95 90.94 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 120.409 -0.516 . . . . 0.62 111.497 177.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -59.69 -45.13 93.02 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.018 0.826 . . . . 0.62 110.192 175.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.4 mt -59.45 -40.69 87.65 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 118.54 0.609 . . . . 0.62 111.333 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -69.21 -5.69 24.3 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-O 117.729 -1.129 . . . . 0.76000000000000001 112.574 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 65.24 59.12 0.84 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.819 1.645 . . . . 0.68000000000000005 109.104 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -160.19 -46.89 0.05 OUTLIER 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.396 -1.288 . . . . 0.62 113.0 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.44 159.37 16.99 Favored Glycine 0 C--N 1.358 1.786 0 CA-C-O 117.341 -1.811 . . . . 0.62 110.914 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -81.14 174.35 10.88 Favored 'Trans proline' 0 C--N 1.358 1.057 0 CA-C-N 121.47 2.635 . . . . 0.53000000000000003 112.237 -178.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mp -64.84 -47.25 78.64 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.893 -0.575 . . . . 0.62 110.186 176.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 51.61 -120.47 10.26 Favored Glycine 0 C--N 1.351 1.38 0 CA-C-O 117.581 -1.677 . . . . 0.62 112.036 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -89.55 18.52 5.3 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-N 120.358 2.079 . . . . 0.76000000000000001 112.391 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.3 t -55.26 -52.14 64.37 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 120.091 1.314 . . . . 0.81999999999999995 109.938 176.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.4 m -55.91 -37.41 68.86 Favored 'General case' 0 C--N 1.347 0.466 0 C-N-CA 118.851 -1.139 . . . . 0.81999999999999995 109.73 -176.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.6 -48.17 87.35 Favored Glycine 0 C--N 1.354 1.55 0 C-N-CA 120.037 -1.078 . . . . 0.62 111.611 176.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.82 -49.52 75.09 Favored Glycine 0 C--N 1.353 1.481 0 C-N-CA 119.267 -1.445 . . . . 0.62 109.746 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.5 t -52.91 -50.88 41.81 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 N-CA-C 108.253 -1.018 . . . . 0.62 108.253 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -49.27 -51.27 34.76 Favored 'General case' 0 C--N 1.35 0.611 0 N-CA-C 112.284 0.476 . . . . 0.62 112.284 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.81 -38.89 73.2 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 118.888 0.767 . . . . 0.62 111.426 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.473 HD13 HG13 ' A' ' 7' ' ' VAL . 48.5 mt -69.17 -44.79 71.5 Favored 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 108.955 -0.757 . . . . 0.62 108.955 -178.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 50.6 t -54.21 -48.37 66.54 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 109.218 -0.66 . . . . 0.62 109.218 -177.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -54.54 -43.97 72.44 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 119.572 -0.851 . . . . 0.68000000000000005 110.43 175.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.6 m -92.74 38.68 1.02 Allowed 'General case' 0 C--N 1.354 0.787 0 CA-C-N 119.242 0.928 . . . . 0.62 111.261 176.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -162.53 49.9 0.18 Allowed 'General case' 0 C--N 1.352 0.711 0 CA-C-O 118.376 -0.821 . . . . 0.62 109.347 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.11 36.71 0.93 Allowed 'General case' 0 C--N 1.356 0.889 0 CA-C-N 118.784 0.72 . . . . 0.76000000000000001 112.769 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.4 t -140.25 50.04 1.72 Allowed 'General case' 0 C--N 1.35 0.608 0 CA-C-N 119.507 1.048 . . . . 0.62 108.959 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.9 m 68.37 -71.4 0.11 Allowed 'General case' 0 C--N 1.353 0.722 0 N-CA-C 112.689 0.625 . . . . 0.62 112.689 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.89 -58.15 9.65 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 120.1 1.318 . . . . 0.70999999999999996 110.118 -174.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -62.87 -41.04 99.24 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 120.082 -0.647 . . . . 0.70999999999999996 111.491 -177.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.413 ' CZ ' ' CE1' ' A' ' 79' ' ' TYR . 3.7 tpm_? -48.6 -44.31 36.89 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 119.047 -0.502 . . . . 0.76000000000000001 111.074 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -62.46 -47.06 85.68 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.13 0.877 . . . . 0.68000000000000005 110.901 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.4 mm -62.53 -50.67 78.9 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 N-CA-C 107.102 -1.444 . . . . 0.62 107.102 -174.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.2 85.01 Favored 'General case' 0 CA--C 1.505 -0.772 0 C-N-CA 119.111 -1.036 . . . . 0.62 109.306 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.8 t -49.82 -50.21 45.97 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 120.045 1.293 . . . . 0.81999999999999995 110.798 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.57 -40.7 97.64 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.889 -0.724 . . . . 0.62 110.455 -178.059 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 57.7 m -70.08 -43.53 70.94 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 120.193 -0.603 . . . . 0.81999999999999995 111.878 -177.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.733 HD23 HD11 ' A' ' 11' ' ' LEU . 12.1 mt -58.38 -49.66 76.46 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 108.412 -0.959 . . . . 0.62 108.412 176.109 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -51.77 -51.98 52.24 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 116.377 -0.374 . . . . 0.62 110.488 174.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -60.5 -48.27 82.51 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.385 0.539 . . . . 0.62 111.023 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.87 -53.73 37.17 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 109.902 -0.407 . . . . 0.62 109.902 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.22 -52.25 66.49 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 119.982 -0.687 . . . . 0.62 109.797 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.03 -24.17 58.06 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-O 118.038 -1.423 . . . . 0.62 112.87 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.63 -22.74 67.06 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.232 2.016 . . . . 0.62 111.324 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 34.8 mm -78.94 130.27 36.38 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 CA-C-N 119.39 0.996 . . . . 0.62 110.147 -171.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.9 m -73.85 -53.43 10.21 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.4 1.0 . . . . 0.62 109.227 -174.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.73 45.88 2.92 Favored Glycine 0 C--N 1.356 1.659 0 N-CA-C 110.029 -1.228 . . . . 0.62 110.029 175.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 tt -56.38 131.24 19.75 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-N 118.52 1.16 . . . . 0.62 109.242 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -96.15 120.22 36.04 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.653 1.115 . . . . 0.68000000000000005 108.209 175.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.7 tt -61.2 -52.34 65.22 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.169 0.895 . . . . 0.62 109.699 -173.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.34 -43.45 93.77 Favored Glycine 0 C--N 1.353 1.503 0 CA-C-O 118.658 -1.079 . . . . 0.62 112.556 -176.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -66.44 -41.46 89.12 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 119.319 1.56 . . . . 0.62 109.328 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.11 82.78 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 120.389 1.449 . . . . 0.62 110.329 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.73 -29.03 65.18 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 119.368 -0.933 . . . . 0.62 112.276 177.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -79.71 -20.07 69.31 Favored Glycine 0 C--N 1.353 1.484 0 CA-C-O 118.542 -1.143 . . . . 0.62 112.445 176.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.4 tp -49.37 -56.46 16.14 Favored Pre-proline 0 C--N 1.352 0.704 0 CA-C-N 119.852 1.826 . . . . 0.62 112.672 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.27 -32.8 15.8 Favored 'Trans proline' 0 C--N 1.355 0.907 0 CA-C-N 123.587 2.317 . . . . 0.53000000000000003 110.191 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.7 m -58.75 -36.66 74.7 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 119.692 1.133 . . . . 0.62 110.029 176.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.7 m -56.7 -47.92 78.85 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 108.036 -1.098 . . . . 0.62 108.036 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 56.4 m -113.75 74.07 0.85 Allowed 'General case' 0 C--N 1.354 0.764 0 N-CA-C 108.659 -0.867 . . . . 0.81999999999999995 108.659 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.4 113.94 4.65 Favored Glycine 0 C--N 1.353 1.493 0 CA-C-O 118.223 -1.321 . . . . 0.62 112.46 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.12 -161.9 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.786 0 N-CA-C 105.098 -2.186 . . . . 0.62 105.098 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -71.58 72.63 0.74 Allowed 'General case' 0 C--N 1.356 0.864 0 CA-C-N 123.562 2.892 . . . . 0.68000000000000005 111.72 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.466 HG23 ' CZ ' ' A' ' 79' ' ' TYR . 43.5 mt -121.09 95.31 48.82 Favored Pre-proline 0 C--N 1.355 0.837 0 CA-C-O 116.906 -1.521 . . . . 0.62 109.431 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -83.98 57.16 5.34 Favored 'Trans proline' 0 C--N 1.362 1.238 0 CA-C-N 123.051 2.125 . . . . 0.53000000000000003 111.257 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.466 ' CZ ' HG23 ' A' ' 77' ' ' ILE . 34.0 p90 -166.71 174.87 8.31 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 117.004 -1.474 . . . . 0.62 109.462 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.76 45.47 2.81 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 121.092 1.769 . . . . 0.62 109.286 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 42.5 mt 35.88 52.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-N 115.312 -0.858 . . . . 0.62 109.656 -177.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.1 m -68.0 127.39 93.32 Favored Pre-proline 0 C--N 1.353 0.751 0 CA-C-O 116.015 -1.945 . . . . 0.62 108.495 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -67.32 4.63 1.17 Allowed 'Trans proline' 0 C--N 1.358 1.039 0 CA-C-N 124.788 2.746 . . . . 0.53000000000000003 113.67 172.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.7 m -140.31 34.0 1.89 Allowed 'General case' 0 C--N 1.358 0.953 0 CA-C-N 121.488 1.949 . . . . 0.62 111.096 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.5 t -83.06 152.88 25.17 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 120.031 1.287 . . . . 0.62 109.983 177.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -94.96 131.1 41.28 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 107.403 -1.332 . . . . 0.70999999999999996 107.403 174.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 90.1 m . . . . . 0 C--N 1.351 0.659 0 CA-C-N 119.261 0.937 . . . . 0.81999999999999995 109.016 174.608 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.505 0 CA-C-O 118.295 -0.86 . . . . 0.62 112.489 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.6 p -149.19 158.06 43.87 Favored 'General case' 0 C--N 1.36 1.028 0 CA-C-N 119.484 1.038 . . . . 0.62 109.861 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 80.5 m -49.31 -44.62 44.4 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 113.924 1.083 . . . . 0.81999999999999995 113.924 -177.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.91 -43.91 61.31 Favored Glycine 0 C--N 1.349 1.26 0 C-N-CA 119.179 -1.486 . . . . 0.62 111.44 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -69.28 -44.72 71.27 Favored 'General case' 0 C--N 1.351 0.665 0 N-CA-C 108.956 -0.757 . . . . 0.68000000000000005 108.956 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.1 t -59.63 -54.03 40.16 Favored 'Isoleucine or valine' 0 C--N 1.349 0.574 0 C-N-CA 120.034 -0.666 . . . . 0.62 109.552 -174.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.3 m -58.78 -41.04 85.71 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 119.85 -0.74 . . . . 0.62 109.725 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.9 t -58.97 -44.65 91.57 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 119.957 -0.697 . . . . 0.62 111.059 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -53.24 -42.92 66.93 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.218 0.917 . . . . 0.68000000000000005 110.163 175.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 mp -85.68 21.69 1.79 Allowed 'General case' 0 C--N 1.349 0.546 0 N-CA-C 113.915 1.08 . . . . 0.62 113.915 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.35 -52.81 59.48 Favored Pre-proline 0 C--N 1.353 0.756 0 CA-C-O 116.32 -1.8 . . . . 0.62 112.878 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -75.18 -16.11 19.99 Favored 'Trans proline' 0 C--N 1.361 1.228 0 CA-C-N 124.109 2.503 . . . . 0.53000000000000003 111.783 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.5 m -68.21 -35.27 77.7 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.989 1.268 . . . . 0.81999999999999995 109.88 172.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.3 mt -48.4 -42.99 33.51 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 108.434 -0.95 . . . . 0.62 108.434 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.532 ' HB1' ' HA3' ' A' ' 22' ' ' GLY . . . -55.68 -46.75 77.55 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 111.885 0.328 . . . . 0.62 111.885 175.151 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.41 ' CE1' ' HE2' ' A' ' 65' ' ' LYS . 79.4 t80 -60.37 -40.77 91.99 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 121.919 -0.488 . . . . 0.62 111.079 177.181 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.17 -35.95 81.82 Favored 'General case' 0 CA--C 1.508 -0.664 0 O-C-N 123.153 0.283 . . . . 0.62 111.718 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -63.81 -13.8 47.54 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 119.649 -0.821 . . . . 0.76000000000000001 111.881 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.6 t30 68.09 51.45 0.73 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-N 119.954 1.252 . . . . 0.68000000000000005 110.581 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.3 t -165.92 -47.98 0.03 OUTLIER 'General case' 0 C--N 1.352 0.684 0 CA-C-O 117.941 -1.028 . . . . 0.62 113.058 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.532 ' HA3' ' HB1' ' A' ' 16' ' ' ALA . . . -91.69 157.87 24.8 Favored Glycine 0 C--N 1.354 1.582 0 CA-C-N 120.637 1.562 . . . . 0.62 110.01 -177.141 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -73.93 175.13 11.24 Favored 'Trans proline' 0 C--N 1.354 0.838 0 CA-C-N 120.563 2.181 . . . . 0.53000000000000003 113.496 -175.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mp -75.4 -35.35 61.04 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 118.662 -0.685 . . . . 0.62 110.674 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.19 -121.26 21.53 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-O 117.725 -1.597 . . . . 0.62 110.758 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.4 mmt85 -99.28 37.64 1.53 Allowed 'General case' 0 C--N 1.358 0.942 0 CA-C-N 119.952 1.876 . . . . 0.76000000000000001 111.705 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.4 t -62.29 -54.03 46.48 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 121.597 -0.689 . . . . 0.81999999999999995 109.543 174.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.9 m -54.46 -42.09 70.23 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 118.661 -1.216 . . . . 0.81999999999999995 110.209 -176.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.22 -47.46 90.7 Favored Glycine 0 C--N 1.352 1.421 0 C-N-CA 119.656 -1.259 . . . . 0.62 112.145 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.57 -43.31 96.72 Favored Glycine 0 C--N 1.352 1.433 0 C-N-CA 119.494 -1.336 . . . . 0.62 111.628 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.0 t -60.93 -52.0 66.69 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 107.25 -1.389 . . . . 0.62 107.25 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -41.03 -47.46 3.09 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 112.532 0.567 . . . . 0.62 112.532 -178.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.72 95.32 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 118.878 -1.129 . . . . 0.62 110.112 -176.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.8 mt -70.21 -30.11 67.13 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-O 117.429 -1.272 . . . . 0.62 110.552 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.1 t -54.64 -47.41 72.75 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-N 121.827 2.103 . . . . 0.62 108.352 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -64.46 -37.67 88.35 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 119.624 -0.83 . . . . 0.68000000000000005 111.359 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 65.7 m -80.92 -40.36 24.73 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 118.347 0.521 . . . . 0.62 110.916 -176.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.32 46.53 0.11 Allowed 'General case' 0 C--N 1.348 0.534 0 C-N-CA 123.496 0.718 . . . . 0.62 112.511 175.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -136.29 42.8 2.53 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.534 1.061 . . . . 0.76000000000000001 109.589 171.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 42' ' ' GLU . 1.9 m -133.09 30.22 3.97 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 109.414 -0.587 . . . . 0.62 109.414 172.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.27 27.9 m 57.3 -73.04 0.02 OUTLIER 'General case' 0 C--N 1.355 0.838 0 N-CA-C 113.633 0.975 . . . . 0.62 113.633 -176.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 40' ' ' THR . 1.9 tm-20 -52.52 -51.93 57.17 Favored 'General case' 0 C--N 1.347 0.482 0 N-CA-C 107.634 -1.247 . . . . 0.70999999999999996 107.634 -178.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -63.56 -44.23 94.74 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 119.798 -0.761 . . . . 0.70999999999999996 112.656 -177.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -52.34 -41.11 62.74 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 112.856 0.687 . . . . 0.76000000000000001 112.856 176.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -60.47 -39.21 86.81 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 118.854 -1.138 . . . . 0.68000000000000005 110.149 -176.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.3 mm -62.37 -50.04 81.52 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 N-CA-C 108.104 -1.073 . . . . 0.62 108.104 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.55 -63.19 1.2 Allowed 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.376 0.989 . . . . 0.62 111.18 -177.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.2 p -60.85 -41.47 95.94 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 118.023 -0.989 . . . . 0.81999999999999995 112.621 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 49.5 m -66.45 -45.7 78.91 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.59 1.541 . . . . 0.62 109.79 -175.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 89.3 m -60.9 -43.52 98.39 Favored 'General case' 0 CA--C 1.511 -0.545 0 O-C-N 121.035 -1.041 . . . . 0.81999999999999995 110.517 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.479 HD13 HD13 ' A' ' 81' ' ' ILE . 35.9 mt -68.24 -43.24 78.34 Favored 'General case' 0 CA--C 1.507 -0.677 0 C-N-CA 119.343 -0.943 . . . . 0.62 110.212 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.48 ' HG3' ' HA ' ' A' ' 83' ' ' PRO . 37.7 tttp -46.24 -52.08 13.19 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 109.054 -0.721 . . . . 0.62 109.054 175.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.8 p -66.81 -42.8 85.33 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 118.384 -0.817 . . . . 0.62 110.948 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.26 -53.96 52.34 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 120.178 1.354 . . . . 0.62 109.407 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.48 -49.31 64.96 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 120.233 -0.587 . . . . 0.62 110.013 175.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.68 -35.0 56.76 Favored Glycine 0 C--N 1.35 1.358 0 C-N-CA 119.534 -1.317 . . . . 0.62 112.317 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.51 -32.56 72.62 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 118.896 1.348 . . . . 0.62 113.087 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 58' ' ' ILE . 68.4 mt -67.68 132.29 32.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 CA-C-N 119.729 1.15 . . . . 0.62 108.778 -176.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.5 m -71.82 -52.21 18.6 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 120.101 1.318 . . . . 0.62 113.152 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.19 41.17 3.08 Favored Glycine 0 C--N 1.355 1.598 0 CA-C-N 119.504 1.047 . . . . 0.62 111.565 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.13 138.14 22.88 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 CA-C-O 117.626 -1.178 . . . . 0.62 109.136 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -110.78 127.22 55.29 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 119.102 0.865 . . . . 0.68000000000000005 109.69 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.43 -48.84 76.12 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 109.284 -0.636 . . . . 0.62 109.284 -173.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.24 -39.84 95.1 Favored Glycine 0 C--N 1.351 1.399 0 C-N-CA 119.84 -1.171 . . . . 0.62 112.173 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.41 ' HE2' ' CE1' ' A' ' 17' ' ' TYR . 13.2 mmmm -66.71 -40.31 88.38 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 118.256 1.028 . . . . 0.62 109.203 -178.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.56 -55.51 31.14 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 119.513 -0.875 . . . . 0.62 112.39 173.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.55 -16.52 63.77 Favored 'General case' 0 C--N 1.346 0.442 0 C-N-CA 118.895 -1.122 . . . . 0.62 112.5 175.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.86 -26.06 74.82 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-N 120.661 1.573 . . . . 0.62 113.745 175.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.0 mt -48.89 -56.79 13.5 Favored Pre-proline 0 C--N 1.351 0.658 0 CA-C-N 120.22 2.01 . . . . 0.62 114.325 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.22 -22.06 55.16 Favored 'Trans proline' 0 C--N 1.36 1.166 0 CA-C-N 123.927 2.438 . . . . 0.53000000000000003 113.064 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.2 t -83.85 -53.23 5.75 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 119.419 1.009 . . . . 0.62 109.671 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.7 m -67.94 -46.83 70.36 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 118.302 0.501 . . . . 0.62 110.642 -177.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 86.9 m -90.83 64.88 5.65 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 107.452 -1.314 . . . . 0.81999999999999995 107.452 171.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -36.21 101.43 0.01 OUTLIER Glycine 0 C--N 1.351 1.417 0 CA-C-O 117.763 -1.576 . . . . 0.62 114.53 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 7.8 m -141.08 157.05 22.43 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 CA-C-N 119.449 1.625 . . . . 0.62 110.126 176.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -80.98 61.73 4.69 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 118.974 0.806 . . . . 0.68000000000000005 110.52 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.3 pt -89.26 119.01 69.66 Favored Pre-proline 0 C--N 1.359 1.002 0 CA-C-O 116.837 -1.554 . . . . 0.62 107.977 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -81.85 54.28 4.98 Favored 'Trans proline' 0 C--N 1.356 0.952 0 CA-C-N 123.049 2.125 . . . . 0.53000000000000003 110.966 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -171.98 133.36 0.71 Allowed 'General case' 0 C--N 1.352 0.694 0 CA-C-O 117.334 -1.317 . . . . 0.62 108.534 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -82.29 134.44 35.27 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 105.251 -2.129 . . . . 0.62 105.251 176.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.479 HD13 HD13 ' A' ' 51' ' ' LEU . 78.2 mt -76.94 101.39 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.726 0 N-CA-C 104.063 -2.569 . . . . 0.62 104.063 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.5 m -153.01 146.64 18.17 Favored Pre-proline 0 C--N 1.356 0.863 0 CA-C-N 121.023 1.738 . . . . 0.62 111.046 177.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.48 ' HA ' ' HG3' ' A' ' 52' ' ' LYS . 65.0 Cg_endo -68.09 -15.69 43.5 Favored 'Trans proline' 0 C--N 1.361 1.212 0 CA-C-N 122.185 1.816 . . . . 0.53000000000000003 112.17 -178.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.8 t -73.3 -44.61 58.75 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 119.658 1.117 . . . . 0.62 111.972 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.1 t -72.89 156.53 38.78 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.869 -1.062 . . . . 0.62 111.611 -175.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.16 148.56 44.06 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.317 0.962 . . . . 0.70999999999999996 108.462 174.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 10.8 m . . . . . 0 C--N 1.353 0.744 0 CA-C-N 118.197 0.453 . . . . 0.81999999999999995 110.38 176.583 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 29.0 mm . . . . . 0 CA--C 1.509 -0.599 0 CA-C-O 118.393 -0.813 . . . . 0.62 108.889 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.57 158.66 43.67 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 108.936 -0.764 . . . . 0.62 108.936 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.5 m -60.31 -35.01 74.6 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 119.226 -0.99 . . . . 0.81999999999999995 111.969 -176.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.47 -43.41 85.31 Favored Glycine 0 C--N 1.352 1.439 0 CA-C-N 120.377 1.444 . . . . 0.62 112.178 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -58.77 -36.55 74.57 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 118.178 0.989 . . . . 0.68000000000000005 109.569 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.6 t -72.87 -63.78 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.591 0 N-CA-C 109.831 -0.433 . . . . 0.62 109.831 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 m -46.8 -48.35 20.77 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 118.008 0.367 . . . . 0.62 111.027 -175.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.0 p -55.33 -55.59 29.8 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 118.383 -0.818 . . . . 0.62 112.195 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -63.53 -34.42 77.74 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 120.929 1.695 . . . . 0.68000000000000005 111.057 178.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.714 ' HG ' HD21 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -75.44 -0.32 19.67 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 116.812 -1.566 . . . . 0.62 111.78 177.69 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.69 -52.44 60.61 Favored Pre-proline 0 C--N 1.356 0.87 0 CA-C-N 123.154 2.706 . . . . 0.62 113.529 -174.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.23 -27.8 48.32 Favored 'Trans proline' 0 C--N 1.364 1.346 0 CA-C-N 123.196 2.177 . . . . 0.53000000000000003 110.654 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 83.8 m -65.35 -51.05 63.12 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 108.603 -0.888 . . . . 0.81999999999999995 108.603 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.5 mt -48.35 -42.2 30.76 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 120.035 -0.666 . . . . 0.62 110.606 176.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.63 -36.44 73.45 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 119.391 -0.924 . . . . 0.62 111.342 177.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -58.17 -36.92 73.75 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.545 1.066 . . . . 0.62 110.897 172.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.2 mt -60.89 -36.21 78.64 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 119.879 -0.728 . . . . 0.62 110.979 177.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -70.43 1.99 4.41 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 117.069 -1.443 . . . . 0.76000000000000001 113.284 174.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 48.81 40.87 17.26 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 122.354 2.343 . . . . 0.68000000000000005 109.307 -169.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.8 m -126.86 -60.5 1.22 Allowed 'General case' 0 C--N 1.358 0.97 0 CA-C-O 118.032 -0.985 . . . . 0.62 110.349 -178.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -96.46 145.39 17.81 Favored Glycine 0 C--N 1.356 1.683 0 CA-C-O 116.885 -2.064 . . . . 0.62 110.626 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -77.73 163.79 28.64 Favored 'Trans proline' 0 C--N 1.359 1.11 0 CA-C-N 122.621 3.21 . . . . 0.53000000000000003 111.986 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.9 mt -66.83 -42.1 86.35 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-N 119.068 0.849 . . . . 0.62 110.663 177.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.67 -103.24 0.59 Allowed Glycine 0 C--N 1.351 1.415 0 N-CA-C 109.151 -1.58 . . . . 0.62 109.151 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -122.38 33.0 5.58 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-N 119.31 1.555 . . . . 0.76000000000000001 109.59 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.4 t -62.75 -46.76 86.58 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 118.836 -1.146 . . . . 0.81999999999999995 108.202 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.8 m -48.7 -42.94 36.57 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 118.339 -0.839 . . . . 0.81999999999999995 111.235 -176.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.05 -48.24 87.07 Favored Glycine 0 C--N 1.352 1.445 0 C-N-CA 119.418 -1.373 . . . . 0.62 110.381 176.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.86 -36.44 93.39 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-N 118.607 1.203 . . . . 0.62 112.25 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.7 t -62.64 -55.11 25.83 Favored 'Isoleucine or valine' 0 C--N 1.355 0.815 0 N-CA-C 105.676 -1.972 . . . . 0.62 105.676 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -53.11 -42.53 66.08 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-O 118.886 -0.578 . . . . 0.62 112.126 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.44 -45.55 56.0 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 119.928 -0.709 . . . . 0.62 109.94 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.6 mt -70.25 -38.89 75.24 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.243 -0.884 . . . . 0.62 110.987 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.9 t -52.9 -43.02 45.42 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 CA-C-N 120.107 1.321 . . . . 0.62 109.221 -175.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -49.39 -49.45 44.64 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 119.854 -0.739 . . . . 0.68000000000000005 111.579 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.1 p -81.67 -48.64 11.45 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 118.609 -0.71 . . . . 0.62 109.42 -177.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.47 46.27 0.01 OUTLIER 'General case' 0 C--N 1.352 0.679 0 N-CA-C 115.931 1.826 . . . . 0.62 115.931 168.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.39 19.46 2.93 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-N 120.458 1.481 . . . . 0.76000000000000001 112.174 167.099 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.8 m -106.63 51.8 0.74 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-N 120.389 1.449 . . . . 0.62 109.797 -173.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 m 69.66 -67.74 0.22 Allowed 'General case' 0 C--N 1.353 0.725 0 N-CA-C 113.207 0.817 . . . . 0.62 113.207 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -78.8 -59.41 2.79 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 108.758 -0.83 . . . . 0.70999999999999996 108.758 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.47 -47.73 19.16 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 116.314 -0.403 . . . . 0.70999999999999996 110.203 -174.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -44.9 -51.43 9.69 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 114.61 1.337 . . . . 0.76000000000000001 114.61 172.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -66.41 -36.36 82.64 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 109.62 -0.511 . . . . 0.68000000000000005 109.62 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.9 mm -61.42 -51.83 68.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 107.577 -1.268 . . . . 0.62 107.577 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.13 -52.76 62.24 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-N 119.142 0.883 . . . . 0.62 110.447 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.587 ' SG ' ' CD1' ' A' ' 79' ' ' TYR . 42.6 m -50.93 -49.68 59.25 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 118.947 -1.101 . . . . 0.81999999999999995 110.985 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.9 m -60.7 -49.78 76.12 Favored 'General case' 0 C--N 1.351 0.633 0 N-CA-C 107.987 -1.116 . . . . 0.62 107.987 -173.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 88.9 m -60.31 -47.63 85.2 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-O 118.697 -0.668 . . . . 0.81999999999999995 111.952 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.714 HD21 ' HG ' ' A' ' 11' ' ' LEU . 11.4 mt -63.53 -46.3 86.62 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 118.578 0.626 . . . . 0.62 109.875 -176.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -46.62 -51.1 16.5 Favored 'General case' 0 C--N 1.346 0.437 0 C-N-CA 120.178 -0.609 . . . . 0.62 109.971 176.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.5 p -70.61 -37.42 73.85 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 118.054 -0.974 . . . . 0.62 111.797 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.4 81.5 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 120.598 1.545 . . . . 0.62 109.958 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.13 -49.07 68.76 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.824 -1.176 . . . . 0.62 107.824 176.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.57 73.95 0.23 Allowed Glycine 0 C--N 1.354 1.535 0 CA-C-N 119.646 1.112 . . . . 0.62 111.088 177.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -175.89 -52.35 0.01 OUTLIER 'General case' 0 C--N 1.355 0.814 0 CA-C-N 118.001 0.901 . . . . 0.62 109.679 -176.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.6 mm -42.96 134.13 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.866 0 CA-C-O 117.865 -1.064 . . . . 0.62 110.372 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.9 t -79.07 -52.99 7.45 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 120.426 1.466 . . . . 0.62 111.395 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.38 44.27 3.27 Favored Glycine 0 C--N 1.357 1.697 0 CA-C-N 119.921 1.237 . . . . 0.62 112.639 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.8 tt -76.98 137.33 22.69 Favored 'Isoleucine or valine' 0 C--N 1.352 0.692 0 CA-C-N 119.19 1.495 . . . . 0.62 110.665 -178.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -104.03 120.22 40.61 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 107.142 -1.429 . . . . 0.68000000000000005 107.142 170.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 tp -57.75 -44.91 86.43 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.949 1.25 . . . . 0.62 109.951 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.87 -40.83 65.86 Favored Glycine 0 C--N 1.354 1.563 0 C-N-CA 119.393 -1.384 . . . . 0.62 111.604 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -72.07 -40.64 68.14 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 118.581 1.19 . . . . 0.62 109.434 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.45 -48.87 78.02 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.244 0.929 . . . . 0.62 110.099 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.87 -22.28 61.54 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 119.377 0.99 . . . . 0.62 111.242 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -84.18 -15.96 68.21 Favored Glycine 0 C--N 1.357 1.737 0 CA-C-O 118.096 -1.391 . . . . 0.62 113.41 173.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.6 tp -58.02 -46.76 99.67 Favored Pre-proline 0 C--N 1.353 0.742 0 CA-C-N 120.792 2.296 . . . . 0.62 112.005 -176.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -60.14 -42.89 39.5 Favored 'Trans proline' 0 CA--C 1.502 -1.079 0 CA-C-N 122.474 1.919 . . . . 0.53000000000000003 111.691 173.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -60.2 -42.55 95.33 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 119.608 -0.837 . . . . 0.62 109.07 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.5 m -64.57 -50.18 68.26 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 107.068 -1.456 . . . . 0.62 107.068 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 82.4 m -89.49 66.07 7.24 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 107.973 -1.121 . . . . 0.81999999999999995 107.973 173.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.02 109.12 0.12 Allowed Glycine 0 C--N 1.352 1.467 0 CA-C-O 117.726 -1.597 . . . . 0.62 113.005 -177.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 13.0 m -145.36 157.22 13.29 Favored 'Isoleucine or valine' 0 C--N 1.356 0.89 0 CA-C-N 119.681 1.74 . . . . 0.62 110.927 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -82.31 64.69 7.09 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 118.355 0.525 . . . . 0.68000000000000005 111.707 -176.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 47.7 pt -102.63 133.65 20.35 Favored Pre-proline 0 C--N 1.356 0.868 0 CA-C-O 116.922 -1.513 . . . . 0.62 110.478 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -86.67 55.43 3.3 Favored 'Trans proline' 0 C--N 1.362 1.276 0 CA-C-N 123.28 2.207 . . . . 0.53000000000000003 112.025 177.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.587 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 18.4 p90 -175.52 146.55 0.79 Allowed 'General case' 0 C--N 1.354 0.77 0 CA-C-O 115.859 -2.019 . . . . 0.62 108.85 178.149 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -100.46 29.63 4.31 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-N 121.661 2.028 . . . . 0.62 112.912 -176.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.455 ' O ' HG22 ' A' ' 81' ' ' ILE . 17.3 mt 50.1 39.55 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.702 0 O-C-N 121.269 -0.894 . . . . 0.62 111.16 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 28.2 t -94.78 131.27 30.91 Favored Pre-proline 0 C--N 1.353 0.721 0 CA-C-O 115.823 -2.037 . . . . 0.62 108.821 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -51.25 -32.02 39.24 Favored 'Trans proline' 0 C--N 1.362 1.276 0 CA-C-N 123.744 2.373 . . . . 0.53000000000000003 114.018 175.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -85.19 -9.31 57.96 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.269 -1.348 . . . . 0.62 114.07 -176.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.5 m -81.17 118.16 22.32 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 121.321 1.873 . . . . 0.62 109.798 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -74.83 129.48 37.76 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 120.079 1.308 . . . . 0.70999999999999996 109.457 173.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 4.0 t . . . . . 0 C--N 1.352 0.697 0 CA-C-N 119.129 0.877 . . . . 0.81999999999999995 109.599 172.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.513 HD13 HG12 ' A' ' 46' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.913 -1.041 . . . . 0.62 109.96 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.7 p -136.18 157.5 46.67 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 120.26 1.391 . . . . 0.62 111.484 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.4 t -64.53 -29.49 70.52 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 117.901 -1.047 . . . . 0.81999999999999995 111.843 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.35 -42.44 64.32 Favored Glycine 0 C--N 1.353 1.475 0 CA-C-N 119.505 1.048 . . . . 0.62 113.111 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -62.68 -46.28 88.9 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 118.389 1.095 . . . . 0.68000000000000005 109.876 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 66.0 t -65.8 -43.33 93.37 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 N-CA-C 107.608 -1.256 . . . . 0.62 107.608 -176.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.652 HG23 HD11 ' A' ' 15' ' ' LEU . 93.3 m -62.22 -47.2 85.49 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 108.004 -1.11 . . . . 0.62 108.004 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.1 t -56.67 -47.5 79.69 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 120.726 -0.39 . . . . 0.62 109.998 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -55.1 -42.81 73.38 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 120.248 -0.581 . . . . 0.68000000000000005 110.801 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 mp -96.79 24.67 5.87 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 118.531 -0.747 . . . . 0.62 112.93 -177.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.52 -51.9 77.53 Favored Pre-proline 0 C--N 1.353 0.752 0 CA-C-N 120.227 1.376 . . . . 0.62 112.241 -174.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.35 -30.95 36.03 Favored 'Trans proline' 0 C--N 1.362 1.281 0 CA-C-N 122.854 2.055 . . . . 0.53000000000000003 110.929 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.6 m -61.26 -39.59 90.9 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 119.696 -0.802 . . . . 0.81999999999999995 109.293 178.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.652 HD11 HG23 ' A' ' 8' ' ' THR . 77.9 mt -56.31 -44.4 79.87 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.788 1.176 . . . . 0.62 109.086 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.99 -47.17 81.38 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 120.02 -0.672 . . . . 0.62 109.293 176.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -50.53 -43.27 55.94 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 120.116 1.325 . . . . 0.62 111.279 176.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.1 mt -50.48 -39.33 47.85 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.939 -0.704 . . . . 0.62 111.046 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.0 ttt-85 -88.29 27.62 1.21 Allowed 'General case' 0 C--N 1.353 0.754 0 CA-C-O 118.466 -0.778 . . . . 0.76000000000000001 111.475 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 44.93 49.36 9.22 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-N 120.877 1.671 . . . . 0.68000000000000005 111.978 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -137.87 -53.7 0.65 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-O 118.158 -0.925 . . . . 0.62 112.859 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -99.97 145.39 17.35 Favored Glycine 0 C--N 1.356 1.644 0 CA-C-O 115.498 -2.834 . . . . 0.62 109.919 -176.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -71.66 -173.64 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.138 1 CA-C-N 125.122 4.461 . . . . 0.53000000000000003 112.219 177.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -78.48 -43.23 27.54 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 108.572 -0.899 . . . . 0.62 108.572 175.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.68 -128.56 45.19 Favored Glycine 0 C--N 1.353 1.505 0 CA-C-O 118.203 -1.332 . . . . 0.62 111.194 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -90.07 14.25 12.86 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 119.261 1.53 . . . . 0.76000000000000001 112.114 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.9 t -53.02 -43.24 66.37 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 120.306 1.412 . . . . 0.81999999999999995 109.689 174.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 82.6 m -52.31 -40.59 62.06 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.826 -0.749 . . . . 0.81999999999999995 112.779 -175.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.03 -39.8 96.18 Favored Glycine 0 C--N 1.35 1.349 0 C-N-CA 119.184 -1.484 . . . . 0.62 110.499 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.17 -36.46 91.85 Favored Glycine 0 C--N 1.349 1.265 0 C-N-CA 119.921 -1.133 . . . . 0.62 111.915 175.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.562 HG12 HG21 ' A' ' 75' ' ' VAL . 40.6 t -62.11 -44.25 98.78 Favored 'Isoleucine or valine' 0 C--N 1.352 0.679 0 N-CA-C 106.582 -1.636 . . . . 0.62 106.582 177.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -53.68 -45.33 70.29 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 118.524 -0.751 . . . . 0.62 110.309 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.17 -43.44 67.06 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 119.739 1.154 . . . . 0.62 110.083 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 mt -56.9 -33.77 67.23 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 118.665 -1.214 . . . . 0.62 112.631 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.4 t -54.71 -52.56 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.698 0 CA-C-N 120.723 1.601 . . . . 0.62 108.696 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -68.84 -39.4 79.98 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 119.542 -0.863 . . . . 0.68000000000000005 109.29 -177.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.8 t -65.56 -67.3 0.45 Allowed 'General case' 0 C--N 1.356 0.853 0 N-CA-C 106.812 -1.551 . . . . 0.62 106.812 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.39 -48.19 13.53 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 118.264 0.483 . . . . 0.62 110.704 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.7 -12.48 0.07 Allowed 'General case' 0 C--N 1.349 0.577 0 CA-C-O 116.777 -1.582 . . . . 0.76000000000000001 114.749 -177.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.1 m -88.07 39.21 0.89 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-N 121.362 1.892 . . . . 0.62 111.217 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.1 m 59.03 -80.59 0.02 OUTLIER 'General case' 0 C--N 1.356 0.852 0 CA-C-N 120.444 1.475 . . . . 0.62 114.911 172.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.15 -48.83 72.15 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 107.821 -1.177 . . . . 0.70999999999999996 107.821 -173.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.61 -37.97 8.92 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-O 118.827 -0.606 . . . . 0.70999999999999996 111.463 175.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.4 ttp-105 -69.38 -40.83 77.18 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 119.483 1.038 . . . . 0.76000000000000001 112.681 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -56.11 -43.81 78.46 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 107.833 -1.173 . . . . 0.68000000000000005 107.833 176.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.513 HG12 HD13 ' A' ' 2' ' ' ILE . 1.4 mp -62.73 -50.55 79.29 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 CA-C-O 118.615 -0.707 . . . . 0.62 110.04 174.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.11 -50.89 68.08 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 119.915 1.234 . . . . 0.62 110.408 -176.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.9 m -57.52 -48.19 79.94 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 119.238 -0.985 . . . . 0.81999999999999995 109.738 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 46.9 m -60.28 -47.44 85.99 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 107.479 -1.304 . . . . 0.62 107.479 -174.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 44.7 t -60.08 -45.71 91.99 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 115.383 -0.826 . . . . 0.81999999999999995 111.728 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.7 mt -70.75 -45.94 63.89 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 109.366 -0.605 . . . . 0.62 109.366 -175.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -54.68 -42.73 71.75 Favored 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 120.756 -0.378 . . . . 0.62 110.149 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.2 m -67.73 -47.67 68.65 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 120.018 -0.673 . . . . 0.62 109.599 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.93 -63.58 1.1 Allowed 'General case' 0 C--N 1.353 0.728 0 N-CA-C 109.41 -0.589 . . . . 0.62 109.41 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.01 -41.38 78.42 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 120.456 -0.498 . . . . 0.62 109.796 -176.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.45 -35.6 73.0 Favored Glycine 0 C--N 1.353 1.513 0 C-N-CA 120.358 -0.925 . . . . 0.62 112.796 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.69 -33.88 74.72 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 119.099 1.449 . . . . 0.62 111.64 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 30.9 mm -69.43 125.31 27.18 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 N-CA-C 108.058 -1.09 . . . . 0.62 108.058 -175.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.4 m -75.56 -51.77 12.13 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-N 120.453 1.479 . . . . 0.62 111.177 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.59 50.71 4.29 Favored Glycine 0 C--N 1.354 1.549 0 CA-C-N 119.535 1.061 . . . . 0.62 110.656 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -85.15 136.32 23.02 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 CA-C-O 117.655 -1.164 . . . . 0.62 109.039 -174.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -104.92 118.98 37.89 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-N 119.831 1.196 . . . . 0.68000000000000005 109.001 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 66.2 tp -56.9 -44.67 82.57 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 118.508 0.595 . . . . 0.62 110.057 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.08 -38.03 65.14 Favored Glycine 0 C--N 1.354 1.541 0 C-N-CA 119.965 -1.112 . . . . 0.62 112.2 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -72.09 -47.3 52.37 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.038 1.419 . . . . 0.62 109.676 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.7 -53.88 17.06 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 119.804 1.184 . . . . 0.62 110.997 173.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.12 -20.04 63.2 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-O 118.434 -0.793 . . . . 0.62 113.054 175.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.2 -26.03 67.21 Favored Glycine 0 C--N 1.35 1.352 0 CA-C-N 120.485 1.493 . . . . 0.62 113.338 173.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 58.9 mt -51.36 -51.91 64.42 Favored Pre-proline 0 C--N 1.349 0.586 0 CA-C-N 120.42 2.11 . . . . 0.62 113.284 -178.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 37.1 Cg_endo -59.24 -23.43 69.57 Favored 'Trans proline' 0 C--N 1.366 1.453 0 CA-C-N 124.908 2.789 . . . . 0.53000000000000003 112.037 175.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.0 t -81.5 -54.7 5.22 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 120.199 1.363 . . . . 0.62 109.214 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.2 m -60.86 -47.69 85.22 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 109.762 -0.458 . . . . 0.62 109.762 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 82.3 m -93.9 74.57 4.19 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 106.287 -1.746 . . . . 0.81999999999999995 106.287 172.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -50.14 114.69 2.64 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-O 118.454 -1.192 . . . . 0.62 112.375 176.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.562 HG21 HG12 ' A' ' 31' ' ' VAL . 17.5 m -144.72 -151.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-O 116.784 -1.579 . . . . 0.62 106.917 178.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -131.32 51.63 2.13 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 122.294 2.316 . . . . 0.68000000000000005 110.301 176.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.2 pt -81.11 128.91 69.23 Favored Pre-proline 0 C--N 1.359 0.986 0 CA-C-O 114.596 -2.621 . . . . 0.62 107.586 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -71.38 38.5 0.34 Allowed 'Trans proline' 0 C--N 1.367 1.535 0 CA-C-N 126.85 3.482 . . . . 0.53000000000000003 116.252 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -163.44 163.76 24.77 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 120.98 1.718 . . . . 0.62 109.058 -177.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . 0.279 19.4 ptmt -108.11 17.49 22.25 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.289 0.993 . . . . 0.62 112.37 -178.192 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 6.6 mt 61.25 34.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 107.546 -1.279 . . . . 0.62 107.546 170.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.7 m -89.47 135.2 31.29 Favored Pre-proline 0 C--N 1.35 0.595 0 CA-C-O 115.286 -2.292 . . . . 0.62 109.291 -175.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -71.54 68.98 2.78 Favored 'Trans proline' 0 C--N 1.361 1.225 0 CA-C-N 122.989 2.103 . . . . 0.53000000000000003 112.48 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.9 m -169.37 -51.67 0.02 OUTLIER 'General case' 0 C--N 1.351 0.631 0 N-CA-C 108.481 -0.933 . . . . 0.62 108.481 -174.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.2 m -33.19 112.0 0.11 Allowed 'General case' 0 C--N 1.356 0.879 0 O-C-N 123.981 0.8 . . . . 0.62 111.649 172.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -89.8 132.08 35.42 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 107.304 -1.369 . . . . 0.70999999999999996 107.304 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 63.7 m . . . . . 0 C--N 1.353 0.736 0 CA-C-N 120.287 1.403 . . . . 0.81999999999999995 108.734 175.749 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.509 -0.615 0 CA-C-O 119.037 -0.506 . . . . 0.62 110.116 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 m -164.88 135.56 3.98 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 117.821 -1.085 . . . . 0.62 109.892 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 83.0 m -58.32 -33.73 69.82 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 121.19 1.814 . . . . 0.81999999999999995 110.076 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -41.49 -47.67 4.72 Favored Glycine 0 C--N 1.349 1.289 0 C-N-CA 120.362 -0.923 . . . . 0.62 113.487 169.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -61.51 -40.42 94.55 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 118.869 1.334 . . . . 0.68000000000000005 108.81 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.41 ' HA ' HD21 ' A' ' 34' ' ' LEU . 58.6 t -72.23 -55.43 13.3 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 N-CA-C 108.008 -1.108 . . . . 0.62 108.008 -168.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.8 t -54.41 -39.28 67.13 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 121.309 -0.87 . . . . 0.62 111.471 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.1 p -69.33 -49.11 58.68 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 119.167 0.894 . . . . 0.62 109.76 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -56.87 -37.24 71.06 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 120.042 1.292 . . . . 0.68000000000000005 111.112 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.57 HD11 HD23 ' A' ' 51' ' ' LEU . 97.5 mt -70.75 0.99 5.94 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 116.288 -1.815 . . . . 0.62 113.921 177.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.425 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -41.28 -53.03 7.13 Favored Pre-proline 0 C--N 1.356 0.869 0 CA-C-N 122.53 2.423 . . . . 0.62 113.887 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.425 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 9.8 Cg_exo -77.63 -22.83 10.25 Favored 'Trans proline' 0 C--N 1.356 0.951 0 CA-C-N 123.168 2.167 . . . . 0.53000000000000003 112.103 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.3 m -71.58 -55.77 7.16 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 107.747 -1.205 . . . . 0.81999999999999995 107.747 -177.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 pp -45.12 -38.61 5.25 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.762 -0.775 . . . . 0.62 111.403 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.98 -45.39 81.83 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.872 -0.731 . . . . 0.62 109.163 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -58.71 -46.19 87.88 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 120.593 0.235 . . . . 0.62 111.018 175.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.8 mt -60.68 -29.95 69.62 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 121.139 -0.976 . . . . 0.62 111.046 -177.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -72.3 4.08 4.05 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.282 -1.342 . . . . 0.76000000000000001 114.104 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 57.15 34.42 24.83 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 122.352 2.342 . . . . 0.68000000000000005 110.218 -172.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.7 m -127.71 -63.37 1.03 Allowed 'General case' 0 C--N 1.357 0.898 0 CA-C-O 118.432 -0.794 . . . . 0.62 110.498 -177.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.91 167.89 32.32 Favored Glycine 0 C--N 1.354 1.558 0 CA-C-O 117.311 -1.827 . . . . 0.62 111.043 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -88.82 -178.66 1.97 Allowed 'Trans proline' 0 C--N 1.358 1.03 0 CA-C-N 121.322 2.561 . . . . 0.53000000000000003 113.285 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -50.08 -51.72 40.44 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 112.191 0.441 . . . . 0.62 112.191 176.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.38 -130.66 51.32 Favored Glycine 0 C--N 1.348 1.242 0 CA-C-O 117.744 -1.587 . . . . 0.62 110.72 -177.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.2 mtm-85 -95.2 26.76 3.57 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 120.324 2.062 . . . . 0.76000000000000001 110.557 177.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 27.0 t -58.97 -48.2 82.39 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 119.572 1.078 . . . . 0.81999999999999995 108.459 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.1 t -59.95 -39.06 84.28 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 119.157 -1.017 . . . . 0.81999999999999995 110.869 -175.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.34 -46.2 94.38 Favored Glycine 0 C--N 1.353 1.483 0 N-CA-C 109.874 -1.291 . . . . 0.62 109.874 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.71 -50.55 64.47 Favored Glycine 0 C--N 1.351 1.414 0 C-N-CA 119.303 -1.427 . . . . 0.62 110.037 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.414 ' HA ' HD12 ' A' ' 34' ' ' LEU . 98.0 t -56.3 -51.22 66.17 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 N-CA-C 107.217 -1.401 . . . . 0.62 107.217 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -49.69 -46.19 49.75 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 119.154 0.888 . . . . 0.62 111.18 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.57 -37.66 65.76 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 120.088 -0.645 . . . . 0.62 110.764 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 31' ' ' VAL . 21.7 mt -72.05 -38.23 69.52 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 109.962 -0.384 . . . . 0.62 109.962 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.9 t -50.08 -48.0 23.79 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 N-CA-C 107.755 -1.202 . . . . 0.62 107.755 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -57.89 -40.94 81.48 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 118.406 -0.807 . . . . 0.68000000000000005 110.64 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.1 m -98.9 38.97 1.31 Allowed 'General case' 0 C--N 1.357 0.906 0 CA-C-N 118.71 0.686 . . . . 0.62 109.408 173.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -150.33 48.64 0.9 Allowed 'General case' 0 C--N 1.355 0.83 0 C-N-CA 119.841 -0.744 . . . . 0.62 109.884 175.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.85 -46.5 0.36 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-O 117.275 -1.345 . . . . 0.76000000000000001 112.298 179.031 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.8 p -60.88 72.4 0.01 OUTLIER 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.987 1.267 . . . . 0.62 111.794 172.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.0 m 46.6 -83.06 0.01 OUTLIER 'General case' 0 C--N 1.354 0.774 0 N-CA-C 116.346 1.98 . . . . 0.62 116.346 169.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -65.93 -46.2 79.09 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 120.791 1.632 . . . . 0.70999999999999996 106.633 -175.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -51.7 -50.64 60.11 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.248 -0.981 . . . . 0.70999999999999996 109.972 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -51.03 48.6 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 112.749 0.648 . . . . 0.76000000000000001 112.749 174.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -66.09 -42.67 89.01 Favored 'General case' 0 CA--C 1.513 -0.47 0 O-C-N 121.178 -0.951 . . . . 0.68000000000000005 111.295 -174.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.7 mm -66.15 -47.74 83.7 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 108.219 -1.03 . . . . 0.62 108.219 -177.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.0 -52.37 65.53 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.621 1.101 . . . . 0.62 108.337 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.415 ' C ' ' SG ' ' A' ' 87' ' ' CYS . 26.9 t -51.88 -41.24 61.75 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 118.926 -0.559 . . . . 0.81999999999999995 111.317 176.205 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 90.7 m -65.27 -45.56 84.01 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.463 1.029 . . . . 0.62 109.839 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.0 m -66.14 -39.89 90.18 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 121.057 -1.027 . . . . 0.81999999999999995 111.014 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.57 HD23 HD11 ' A' ' 11' ' ' LEU . 49.8 mt -60.9 -45.84 93.0 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 107.81 -1.181 . . . . 0.62 107.81 178.3 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -52.98 -43.99 66.83 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 109.666 -0.494 . . . . 0.62 109.666 175.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.2 m -66.51 -44.97 81.09 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-O 119.346 -0.359 . . . . 0.62 110.624 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.71 -50.03 69.3 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 109.017 -0.734 . . . . 0.62 109.017 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.3 -47.69 78.17 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 119.093 -1.043 . . . . 0.62 108.616 -177.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.72 -36.81 88.07 Favored Glycine 0 C--N 1.356 1.668 0 C-N-CA 120.171 -1.014 . . . . 0.62 112.822 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.81 -39.18 84.01 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.313 1.557 . . . . 0.62 112.464 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.2 mt -71.95 131.82 34.16 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 CA-C-O 118.452 -0.785 . . . . 0.62 110.3 -172.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 m -73.69 -54.57 7.8 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 120.015 1.28 . . . . 0.62 112.728 -175.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -89.34 41.35 3.02 Favored Glycine 0 C--N 1.356 1.662 0 CA-C-N 119.714 1.143 . . . . 0.62 112.004 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.41 122.25 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.745 0 CA-C-N 118.129 0.964 . . . . 0.62 110.533 -175.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -89.34 118.22 28.86 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 120.099 1.318 . . . . 0.68000000000000005 108.664 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.4 tt -55.25 -52.97 61.7 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 118.717 0.689 . . . . 0.62 109.455 -175.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.18 -39.47 81.21 Favored Glycine 0 C--N 1.351 1.39 0 C-N-CA 120.0 -1.095 . . . . 0.62 114.255 -175.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 69' ' ' LEU . 50.8 mttp -70.22 -47.05 63.16 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 119.023 1.412 . . . . 0.62 107.43 -179.279 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.34 -58.76 6.49 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 119.831 -0.748 . . . . 0.62 110.555 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.63 -39.7 71.17 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 118.416 0.553 . . . . 0.62 112.13 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -85.69 -3.59 85.98 Favored Glycine 0 C--N 1.352 1.46 0 CA-C-O 118.624 -1.098 . . . . 0.62 113.469 176.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.45 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 34.8 tp -50.16 -47.82 81.07 Favored Pre-proline 0 C--N 1.351 0.662 0 CA-C-N 120.042 1.921 . . . . 0.62 112.542 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 31.2 Cg_endo -59.46 -27.61 85.42 Favored 'Trans proline' 0 C--N 1.364 1.362 0 CA-C-N 124.214 2.541 . . . . 0.53000000000000003 112.61 177.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.3 m -70.71 -47.33 60.36 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 119.181 -1.008 . . . . 0.62 109.15 176.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.9 m -58.26 -49.22 77.89 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.847 -0.741 . . . . 0.62 109.391 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 40.1 t -100.6 79.32 2.08 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 106.737 -1.579 . . . . 0.81999999999999995 106.737 173.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -34.44 110.29 0.06 OUTLIER Glycine 0 C--N 1.353 1.479 0 CA-C-O 117.895 -1.503 . . . . 0.62 113.448 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.4 m -142.23 154.2 18.57 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 CA-C-N 119.478 1.639 . . . . 0.62 109.591 176.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -90.47 54.27 2.68 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.931 1.241 . . . . 0.68000000000000005 111.405 -175.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.494 HD12 ' CE1' ' A' ' 79' ' ' TYR . 31.0 pt -91.42 123.87 62.73 Favored Pre-proline 0 C--N 1.353 0.754 0 CA-C-O 115.502 -2.189 . . . . 0.62 107.275 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -90.34 61.13 1.66 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 CA-C-N 125.06 2.843 . . . . 0.53000000000000003 109.539 176.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.494 ' CE1' HD12 ' A' ' 77' ' ' ILE . 27.6 p90 -161.8 158.01 24.99 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 118.674 -0.679 . . . . 0.62 109.792 172.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -98.47 143.04 29.33 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 107.598 -1.26 . . . . 0.62 107.598 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 93.0 mt -85.15 74.84 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.721 0 N-CA-C 106.18 -1.785 . . . . 0.62 106.18 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.1 m -125.72 142.73 42.92 Favored Pre-proline 0 C--N 1.359 0.98 0 CA-C-O 115.566 -2.159 . . . . 0.62 110.936 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -73.7 67.55 4.69 Favored 'Trans proline' 0 C--N 1.361 1.212 0 CA-C-N 124.085 2.495 . . . . 0.53000000000000003 110.271 176.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.9 t -163.1 -59.74 0.04 OUTLIER 'General case' 0 C--N 1.355 0.804 0 CA-C-N 118.077 0.399 . . . . 0.62 110.678 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.9 t -44.72 145.57 0.89 Allowed 'General case' 0 C--N 1.356 0.863 0 CA-C-O 118.913 -0.565 . . . . 0.62 112.345 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -86.49 152.95 22.23 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 118.978 0.808 . . . . 0.70999999999999996 109.162 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.415 ' SG ' ' C ' ' A' ' 48' ' ' CYS . 61.4 m . . . . . 0 C--N 1.356 0.876 0 CA-C-N 118.146 0.43 . . . . 0.81999999999999995 110.545 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.284 0 CA-C-O 117.683 -1.151 . . . . 0.62 110.637 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.743 HD13 HG13 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -77.77 142.9 13.55 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 CA-C-O 118.065 -0.969 . . . . 0.62 108.502 -178.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -155.33 142.68 19.47 Favored 'General case' 0 C--N 1.36 1.022 0 CA-C-N 120.325 1.42 . . . . 0.62 111.251 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.3 t -55.06 -35.83 64.95 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.399 1.454 . . . . 0.81999999999999995 112.302 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -48.55 -43.88 28.71 Favored Glycine 0 C--N 1.353 1.48 0 CA-C-N 119.51 1.05 . . . . 0.62 113.315 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -70.12 -42.9 72.0 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 108.065 -1.087 . . . . 0.68000000000000005 108.065 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 52.6 t -63.55 -48.72 85.59 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 C-N-CA 119.995 -0.682 . . . . 0.62 110.114 -175.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.3 t -63.06 -21.85 66.45 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 113.171 0.804 . . . . 0.62 113.171 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m -64.45 -49.51 71.16 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 119.503 1.047 . . . . 0.62 108.249 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -60.84 -30.34 70.05 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.582 -0.723 . . . . 0.68000000000000005 112.184 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.672 HD11 HD23 ' A' ' 51' ' ' LEU . 59.7 mt -70.94 -4.71 26.01 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-O 115.735 -2.078 . . . . 0.62 112.899 178.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' LEU . . . -40.71 -49.5 7.32 Favored Pre-proline 0 C--N 1.356 0.851 0 CA-C-N 122.273 2.306 . . . . 0.62 112.857 -175.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -72.95 -30.42 11.06 Favored 'Trans proline' 0 C--N 1.36 1.145 0 CA-C-N 122.935 2.084 . . . . 0.53000000000000003 112.074 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.6 m -66.6 -50.63 62.42 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 108.21 -1.033 . . . . 0.81999999999999995 108.21 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.458 HD22 HD11 ' A' ' 58' ' ' ILE . 79.1 mt -42.39 -41.34 2.83 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 118.139 0.427 . . . . 0.62 110.303 -179.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.36 -47.35 64.6 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 121.503 -0.748 . . . . 0.62 110.413 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -58.07 -39.22 77.98 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 121.756 -0.59 . . . . 0.62 112.398 175.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.5 mt -56.94 -36.08 69.83 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 118.814 -0.613 . . . . 0.62 110.486 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -81.61 11.25 4.87 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 118.008 -0.996 . . . . 0.76000000000000001 112.25 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.4 t30 49.56 49.26 20.25 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 120.969 1.713 . . . . 0.68000000000000005 110.853 -175.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 t -140.9 -51.18 0.45 Allowed 'General case' 0 C--N 1.356 0.858 0 CA-C-O 117.302 -1.333 . . . . 0.62 113.605 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.94 157.31 19.2 Favored Glycine 0 C--N 1.357 1.709 0 CA-C-N 121.316 1.871 . . . . 0.62 108.869 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -71.18 165.5 32.21 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 CA-C-N 120.54 2.17 . . . . 0.53000000000000003 112.632 -175.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.6 mp -62.15 -44.43 96.63 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.487 -0.768 . . . . 0.62 109.671 177.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 53.93 -119.96 13.21 Favored Glycine 0 C--N 1.35 1.351 0 CA-C-O 117.749 -1.584 . . . . 0.62 110.658 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -89.63 23.43 2.65 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.266 2.033 . . . . 0.76000000000000001 112.451 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.8 t -60.61 -46.88 88.62 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 121.349 1.886 . . . . 0.81999999999999995 108.799 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.0 m -60.73 -46.02 92.05 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 118.725 -1.19 . . . . 0.81999999999999995 110.376 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.69 -44.55 96.82 Favored Glycine 0 C--N 1.351 1.412 0 C-N-CA 119.486 -1.34 . . . . 0.62 111.238 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.48 -51.99 55.51 Favored Glycine 0 C--N 1.35 1.355 0 C-N-CA 119.508 -1.33 . . . . 0.62 110.059 178.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.71 -48.48 88.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 C-N-CA 119.516 -0.874 . . . . 0.62 109.144 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -42.15 -45.8 4.15 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 118.565 0.621 . . . . 0.62 110.953 175.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.47 81.79 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 119.568 -0.853 . . . . 0.62 109.257 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.6 mt -55.16 -46.98 75.76 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-O 118.075 -0.964 . . . . 0.62 109.359 -177.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.7 t -39.61 -49.02 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.687 0 CA-C-N 118.474 0.579 . . . . 0.62 110.162 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -61.68 -42.64 99.19 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 118.88 0.764 . . . . 0.68000000000000005 110.031 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.5 t -84.31 33.63 0.51 Allowed 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.821 -0.609 . . . . 0.62 110.535 169.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.13 33.16 1.1 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-N 119.302 0.956 . . . . 0.62 112.021 174.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.2 mmm-85 -129.58 -14.91 4.08 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 116.278 -1.82 . . . . 0.76000000000000001 115.395 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -77.85 47.31 0.62 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-N 122.978 2.627 . . . . 0.62 111.172 176.488 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 62.5 m 62.84 -62.3 0.12 Allowed 'General case' 0 C--N 1.357 0.916 0 N-CA-C 115.329 1.603 . . . . 0.62 115.329 174.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' THR . 53.9 mt-10 -84.52 -50.91 7.3 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 119.86 1.209 . . . . 0.70999999999999996 108.949 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -42.42 -49.04 5.27 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.746 1.157 . . . . 0.70999999999999996 109.897 173.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.463 ' CZ ' HG12 ' A' ' 90' ' ' VAL . 56.5 ttp180 -49.27 -54.56 16.27 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 113.233 0.827 . . . . 0.76000000000000001 113.233 171.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -58.77 -42.92 90.11 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 119.643 -0.823 . . . . 0.68000000000000005 109.825 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.743 HG13 HD13 ' A' ' 2' ' ' ILE . 44.3 mm -58.25 -48.99 83.3 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 C-N-CA 119.27 -0.972 . . . . 0.62 109.795 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.96 -50.9 71.8 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 119.316 -0.954 . . . . 0.62 110.019 177.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 82.7 m -50.06 -54.55 19.62 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 120.252 1.387 . . . . 0.81999999999999995 110.35 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.4 t -62.61 -39.89 95.21 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 119.654 -0.819 . . . . 0.62 110.057 -175.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 41.3 t -62.22 -42.78 99.62 Favored 'General case' 0 CA--C 1.504 -0.805 0 C-N-CA 119.347 -0.941 . . . . 0.81999999999999995 110.374 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.672 HD23 HD11 ' A' ' 11' ' ' LEU . 11.9 mt -67.35 -50.29 60.49 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 119.22 -0.992 . . . . 0.62 109.062 -177.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -47.1 -46.38 22.79 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 109.059 -0.719 . . . . 0.62 109.059 175.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.0 m -63.21 -44.49 95.18 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 119.688 -0.805 . . . . 0.62 109.379 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.97 -53.84 50.51 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.895 0.771 . . . . 0.62 109.309 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.09 -52.13 53.3 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.999 -0.68 . . . . 0.62 109.902 177.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.07 -32.57 59.85 Favored Glycine 0 C--N 1.353 1.484 0 C-N-CA 119.777 -1.202 . . . . 0.62 112.666 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.25 -37.79 84.1 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 119.144 1.472 . . . . 0.62 111.168 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.458 HD11 HD22 ' A' ' 15' ' ' LEU . 16.9 mm -63.56 139.46 21.26 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 118.718 0.69 . . . . 0.62 111.024 -175.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.8 p -74.79 -74.55 0.19 Allowed 'General case' 0 C--N 1.36 1.03 0 CA-C-N 119.149 0.886 . . . . 0.62 111.759 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.24 51.95 3.98 Favored Glycine 0 C--N 1.353 1.493 0 CA-C-N 119.828 1.195 . . . . 0.62 111.914 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.29 131.85 33.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.625 0 CA-C-O 118.059 -0.972 . . . . 0.62 112.391 -171.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -93.63 109.16 20.8 Favored 'General case' 0 C--N 1.358 0.948 0 N-CA-C 107.73 -1.211 . . . . 0.68000000000000005 107.73 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.33 -42.36 99.32 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 119.011 0.823 . . . . 0.62 110.365 -173.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.42 -44.9 96.28 Favored Glycine 0 C--N 1.351 1.387 0 C-N-CA 119.783 -1.198 . . . . 0.62 111.816 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 69' ' ' LEU . 65.3 mttm -68.48 -39.92 81.16 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 119.31 1.555 . . . . 0.62 109.547 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.38 -56.62 18.06 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 119.31 0.959 . . . . 0.62 109.735 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.32 -34.8 75.85 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.997 -1.064 . . . . 0.62 110.63 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -89.04 -0.9 80.3 Favored Glycine 0 C--N 1.356 1.693 0 CA-C-O 118.257 -1.301 . . . . 0.62 114.566 177.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' LYS . 10.4 tp -48.95 -54.88 23.84 Favored Pre-proline 0 C--N 1.352 0.704 0 CA-C-N 120.774 2.287 . . . . 0.62 111.9 174.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.545 ' HB3' HD11 ' A' ' 77' ' ' ILE . 56.1 Cg_endo -65.02 -29.46 57.06 Favored 'Trans proline' 0 C--N 1.358 1.067 0 CA-C-N 123.934 2.441 . . . . 0.53000000000000003 109.041 -175.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.3 t -65.19 -39.65 93.13 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.648 1.113 . . . . 0.62 108.684 176.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 50.4 m -69.4 -49.85 51.45 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 108.42 -0.956 . . . . 0.62 108.42 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 74' ' ' GLY . 97.5 m -90.54 70.19 6.84 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-O 116.746 -1.597 . . . . 0.81999999999999995 107.822 172.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 73' ' ' CYS . . . -29.01 110.45 0.03 OUTLIER Glycine 0 C--N 1.349 1.258 0 CA-C-N 120.587 1.54 . . . . 0.62 114.64 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -143.25 152.7 16.7 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 CA-C-N 119.527 1.663 . . . . 0.62 109.625 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -89.22 63.46 6.55 Favored 'General case' 0 C--N 1.36 1.055 0 CA-C-O 117.87 -1.062 . . . . 0.68000000000000005 111.404 -175.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.545 HD11 ' HB3' ' A' ' 70' ' ' PRO . 22.2 pt -102.67 126.77 31.87 Favored Pre-proline 0 C--N 1.352 0.703 0 CA-C-O 116.727 -1.606 . . . . 0.62 109.118 175.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -87.99 58.99 3.03 Favored 'Trans proline' 0 C--N 1.359 1.081 0 CA-C-N 123.562 2.308 . . . . 0.53000000000000003 111.219 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.454 ' CE2' ' HB ' ' A' ' 77' ' ' ILE . 51.2 p90 -169.07 151.91 4.93 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 117.354 -1.307 . . . . 0.62 107.588 172.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -95.35 148.81 22.04 Favored 'General case' 0 C--N 1.35 0.619 0 N-CA-C 107.537 -1.282 . . . . 0.62 107.537 -175.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.402 HG23 ' HB3' ' A' ' 51' ' ' LEU . 27.0 mt -90.45 83.84 2.15 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 N-CA-C 107.113 -1.44 . . . . 0.62 107.113 -171.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.3 p -150.4 144.84 17.83 Favored Pre-proline 0 C--N 1.357 0.896 0 CA-C-O 116.916 -1.516 . . . . 0.62 111.808 -174.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -80.13 71.37 7.09 Favored 'Trans proline' 0 C--N 1.358 1.056 0 CA-C-N 122.091 1.783 . . . . 0.53000000000000003 110.593 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.1 m -159.28 -58.65 0.07 Allowed 'General case' 0 C--N 1.353 0.718 0 N-CA-C 109.191 -0.67 . . . . 0.62 109.191 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.5 t -52.37 136.4 31.35 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 118.582 -0.723 . . . . 0.62 111.712 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -82.07 147.2 29.24 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 107.16 -1.422 . . . . 0.70999999999999996 107.16 171.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 4.4 t -111.78 -31.47 6.95 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.974 -1.489 . . . . 0.81999999999999995 113.516 170.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 91.7 p -45.52 -35.07 3.62 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 120.707 1.594 . . . . 0.62 114.201 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -91.92 18.27 8.07 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 120.264 1.393 . . . . 0.62 112.938 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.463 HG12 ' CZ ' ' A' ' 44' ' ' ARG . 73.1 t -83.28 120.36 34.38 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 CA-C-N 121.342 1.883 . . . . 0.62 109.25 -178.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 . . . . . 0 C--O 1.263 1.776 0 CA-C-O 118.479 -0.772 . . . . 0.68000000000000005 110.112 179.811 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.396 0 N-CA-C 108.545 -0.909 . . . . 0.62 108.545 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.526 HD13 HG13 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -81.82 134.27 27.43 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 N-CA-C 109.131 -0.692 . . . . 0.62 109.131 -177.405 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 m -162.83 141.99 8.84 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 119.621 1.1 . . . . 0.62 111.095 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 59.2 m -57.02 -31.58 65.28 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 121.591 1.996 . . . . 0.81999999999999995 113.767 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.99 -48.73 61.69 Favored Glycine 0 C--N 1.347 1.155 0 CA-C-N 120.536 1.516 . . . . 0.62 112.363 177.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.37 -29.96 71.02 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 118.532 1.166 . . . . 0.68000000000000005 110.415 -178.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.8 t -70.27 -50.1 49.29 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 108.791 -0.818 . . . . 0.62 108.791 178.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.8 m -59.5 -45.28 92.14 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 119.925 -0.71 . . . . 0.62 110.753 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.4 p -62.85 -46.43 87.95 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 119.737 -0.785 . . . . 0.62 109.572 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -56.11 -41.77 75.8 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 119.346 -0.941 . . . . 0.68000000000000005 111.062 176.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.5 mp -89.39 25.2 2.0 Allowed 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.362 -0.828 . . . . 0.62 112.629 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.46 -53.05 68.38 Favored Pre-proline 0 C--N 1.356 0.883 0 CA-C-O 116.688 -1.625 . . . . 0.62 111.492 -178.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -70.15 -29.63 21.74 Favored 'Trans proline' 0 C--N 1.358 1.061 0 CA-C-N 123.626 2.331 . . . . 0.53000000000000003 110.956 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.0 m -61.54 -29.15 69.82 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 117.928 -1.034 . . . . 0.81999999999999995 109.444 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -54.43 -40.25 68.13 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 120.954 1.706 . . . . 0.62 111.285 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.57 -33.13 60.6 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 119.925 -0.71 . . . . 0.62 110.804 177.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -65.66 -35.54 81.06 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 120.531 -0.467 . . . . 0.62 110.65 174.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.428 HD21 HD11 ' A' ' 69' ' ' LEU . 27.9 mt -57.94 -38.62 76.3 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-N 118.889 0.768 . . . . 0.62 111.039 176.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -68.28 -1.99 7.37 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-O 118.241 -0.885 . . . . 0.76000000000000001 113.377 172.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 61.0 t30 53.41 44.77 29.56 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 121.081 1.764 . . . . 0.68000000000000005 110.718 -176.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 t -140.78 -47.51 0.41 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-O 117.402 -1.285 . . . . 0.62 112.646 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.08 154.21 19.49 Favored Glycine 0 C--N 1.36 1.879 0 CA-C-N 121.415 1.916 . . . . 0.62 110.299 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -75.38 142.34 26.63 Favored 'Trans proline' 0 C--N 1.356 0.95 0 CA-C-N 121.329 2.565 . . . . 0.53000000000000003 113.426 -177.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -69.56 -30.53 68.36 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 113.051 0.76 . . . . 0.62 113.051 172.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.47 -120.73 21.37 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-O 118.116 -1.38 . . . . 0.62 112.14 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -95.32 20.27 9.56 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-N 120.025 1.913 . . . . 0.76000000000000001 111.096 -175.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.4 t -53.76 -32.95 54.2 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.925 1.239 . . . . 0.81999999999999995 111.168 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 71.7 m -49.62 -38.88 33.81 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.076 -0.964 . . . . 0.81999999999999995 110.637 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.3 -44.54 89.47 Favored Glycine 0 C--N 1.351 1.371 0 C-N-CA 119.172 -1.49 . . . . 0.62 110.791 176.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.11 -43.85 96.62 Favored Glycine 0 C--N 1.35 1.35 0 C-N-CA 119.61 -1.281 . . . . 0.62 111.363 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.54 -52.07 64.05 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 106.574 -1.639 . . . . 0.62 106.574 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -52.25 -43.3 64.28 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 119.149 -0.453 . . . . 0.62 110.701 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.55 -46.51 77.14 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 120.084 -0.647 . . . . 0.62 109.736 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' SER . 91.3 mt -60.01 -41.33 91.92 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 118.625 -0.702 . . . . 0.62 110.09 -177.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.43 HG22 HG23 ' A' ' 77' ' ' ILE . 60.3 t -46.98 -44.92 7.78 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.698 0 CA-C-N 118.646 0.657 . . . . 0.62 110.452 -175.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -53.13 -42.23 65.83 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 119.943 -0.703 . . . . 0.68000000000000005 109.399 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' LEU . 5.1 m -105.15 50.18 0.79 Allowed 'General case' 0 C--N 1.353 0.737 0 O-C-N 123.542 0.526 . . . . 0.62 110.391 172.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.92 38.82 0.6 Allowed 'General case' 0 C--N 1.353 0.74 0 C-N-CA 121.187 -0.205 . . . . 0.62 111.205 170.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.0 mmm-85 -139.38 9.37 2.48 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 114.892 1.441 . . . . 0.76000000000000001 114.892 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.8 m -107.58 45.31 1.01 Allowed 'General case' 0 C--N 1.356 0.889 0 CA-C-N 120.972 1.715 . . . . 0.62 108.206 177.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.6 m 66.8 -68.34 0.14 Allowed 'General case' 0 C--N 1.353 0.748 0 N-CA-C 113.485 0.92 . . . . 0.62 113.485 176.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -69.56 -55.65 9.53 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 120.088 1.313 . . . . 0.70999999999999996 108.853 -174.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -54.0 -42.08 68.67 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 119.799 -0.76 . . . . 0.70999999999999996 111.402 177.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.45 ' NH2' ' O ' ' A' ' 91' ' ' GLN . 39.5 ttp85 -54.51 -48.82 71.44 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 118.184 -1.406 . . . . 0.76000000000000001 111.899 172.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -60.61 -47.66 85.25 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 120.053 -0.659 . . . . 0.68000000000000005 112.349 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.526 HG13 HD13 ' A' ' 2' ' ' ILE . 25.7 mm -58.49 -45.71 89.98 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 N-CA-C 108.262 -1.014 . . . . 0.62 108.262 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.87 -50.02 70.47 Favored 'General case' 0 CA--C 1.509 -0.6 0 C-N-CA 118.903 -1.119 . . . . 0.62 109.663 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.6 t -48.52 -47.75 38.81 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 118.732 0.696 . . . . 0.81999999999999995 111.329 174.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.3 m -68.39 -48.53 64.45 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 108.639 -0.874 . . . . 0.62 108.639 -173.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 98.0 m -59.52 -43.52 93.4 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 120.436 -0.505 . . . . 0.81999999999999995 111.049 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.576 ' HB3' HG23 ' A' ' 81' ' ' ILE . 44.7 mt -63.14 -49.51 74.08 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 119.518 -0.873 . . . . 0.62 108.723 178.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.458 ' HG3' ' HA ' ' A' ' 83' ' ' PRO . 50.8 tttm -48.57 -47.15 39.75 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 109.496 -0.557 . . . . 0.62 109.496 178.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.1 p -72.58 -36.15 68.09 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-O 117.329 -1.32 . . . . 0.62 112.198 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.55 -51.12 63.91 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 121.346 1.885 . . . . 0.62 109.777 175.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.01 -40.01 65.55 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 119.476 -0.89 . . . . 0.62 109.744 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.7 75.07 1.7 Allowed Glycine 0 C--N 1.355 1.613 0 CA-C-O 118.532 -1.149 . . . . 0.62 110.408 -178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 179.8 -49.52 0.01 OUTLIER 'General case' 0 C--N 1.352 0.681 0 CA-C-N 117.687 0.743 . . . . 0.62 110.674 -174.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 58' ' ' ILE . 86.6 mt -53.54 141.24 8.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 CA-C-O 117.661 -1.161 . . . . 0.62 108.607 178.224 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.8 t -72.35 -53.28 12.8 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-N 120.994 1.725 . . . . 0.62 112.405 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.66 33.52 3.92 Favored Glycine 0 C--N 1.354 1.546 0 O-C-N 120.934 -1.104 . . . . 0.62 114.488 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.535 HD11 ' HB2' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -64.62 132.25 30.44 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.654 0 CA-C-N 120.28 2.04 . . . . 0.62 111.194 -179.489 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -97.61 107.94 20.55 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 119.998 1.272 . . . . 0.68000000000000005 109.149 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.4 tp -47.65 -45.97 28.47 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 112.64 0.607 . . . . 0.62 112.64 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.01 -35.48 64.24 Favored Glycine 0 C--N 1.351 1.382 0 C-N-CA 119.69 -1.243 . . . . 0.62 112.247 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -69.46 -50.75 42.51 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.162 1.481 . . . . 0.62 108.611 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.535 ' HB2' HD11 ' A' ' 61' ' ' ILE . . . -48.79 -55.05 12.67 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 119.647 -0.821 . . . . 0.62 109.916 176.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.6 -31.91 69.92 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 117.791 -1.1 . . . . 0.62 112.883 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -86.59 7.23 80.23 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-O 117.597 -1.668 . . . . 0.62 115.083 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.428 HD11 HD21 ' A' ' 18' ' ' LEU . 85.6 mt -66.06 -41.6 45.68 Favored Pre-proline 0 C--N 1.353 0.723 0 CA-C-N 122.335 3.068 . . . . 0.62 112.632 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -61.82 -31.76 85.46 Favored 'Trans proline' 0 C--N 1.361 1.185 0 CA-C-N 124.997 2.82 . . . . 0.53000000000000003 108.863 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.4 t -64.82 -51.85 59.94 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 119.065 -1.054 . . . . 0.62 109.007 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.6 m -64.83 -38.14 89.97 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 119.886 -0.725 . . . . 0.62 111.119 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 75' ' ' VAL . 69.9 m -108.78 80.42 1.33 Allowed 'General case' 0 C--N 1.349 0.556 0 N-CA-C 108.471 -0.937 . . . . 0.81999999999999995 108.471 172.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.34 77.49 0.01 OUTLIER Glycine 0 C--N 1.355 1.616 0 CA-C-O 119.299 -0.723 . . . . 0.62 112.276 177.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' CYS . 21.9 m -105.42 -159.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 107.337 -1.357 . . . . 0.62 107.337 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -112.35 67.1 0.65 Allowed 'General case' 0 C--N 1.356 0.885 0 CA-C-N 121.062 1.756 . . . . 0.68000000000000005 110.68 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.43 HG23 HG22 ' A' ' 35' ' ' VAL . 6.4 pt -112.08 132.02 22.23 Favored Pre-proline 0 C--N 1.358 0.961 0 CA-C-O 116.547 -1.692 . . . . 0.62 109.267 176.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -77.38 -36.38 1.32 Allowed 'Trans proline' 0 C--N 1.362 1.254 0 CA-C-N 122.945 2.087 . . . . 0.53000000000000003 111.666 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -71.87 158.23 36.44 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 108.685 -0.857 . . . . 0.62 108.685 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -106.06 34.22 3.44 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 120.649 -0.42 . . . . 0.62 110.72 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.576 HG23 ' HB3' ' A' ' 51' ' ' LEU . 1.5 mt 47.14 40.35 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.627 0 CA-C-O 118.833 -0.603 . . . . 0.62 111.861 174.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.8 m -98.25 141.2 22.56 Favored Pre-proline 0 C--N 1.35 0.591 0 CA-C-O 116.236 -1.84 . . . . 0.62 111.025 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.458 ' HA ' ' HG3' ' A' ' 52' ' ' LYS . 88.8 Cg_endo -72.22 67.68 3.41 Favored 'Trans proline' 0 C--N 1.363 1.296 0 CA-C-N 122.8 2.036 . . . . 0.53000000000000003 111.161 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -165.42 -53.43 0.03 OUTLIER 'General case' 0 C--N 1.352 0.685 0 CA-C-O 119.296 -0.383 . . . . 0.62 110.208 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.5 t -37.52 105.36 0.04 OUTLIER 'General case' 0 C--N 1.354 0.793 0 N-CA-C 114.416 1.265 . . . . 0.62 114.416 176.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -63.49 144.89 56.61 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 120.757 1.617 . . . . 0.70999999999999996 110.268 175.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 91.2 m -139.47 44.65 1.97 Allowed 'General case' 0 C--N 1.358 0.977 0 CA-C-N 119.357 0.981 . . . . 0.81999999999999995 112.492 174.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 61.1 p -93.21 -29.61 15.62 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-O 117.679 -1.153 . . . . 0.62 112.786 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.09 40.86 2.87 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.964 1.711 . . . . 0.62 110.548 177.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 35.0 t -76.9 142.82 13.78 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.616 0 N-CA-C 107.987 -1.116 . . . . 0.62 107.987 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.45 ' O ' ' NH2' ' A' ' 44' ' ' ARG . 76.4 mt-30 . . . . . 0 C--O 1.26 1.631 0 CA-C-O 117.774 -1.108 . . . . 0.68000000000000005 108.598 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.638 0 N-CA-C 112.676 0.621 . . . . 0.62 112.676 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 pp -39.6 150.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.849 0 N-CA-C 113.796 1.036 . . . . 0.62 113.796 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -100.34 167.37 10.45 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 118.043 0.383 . . . . 0.62 111.027 -176.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.9 m -59.77 -38.4 81.74 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 112.668 0.618 . . . . 0.81999999999999995 112.668 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -49.47 -47.39 36.11 Favored Glycine 0 C--N 1.35 1.337 0 C-N-CA 119.572 -1.299 . . . . 0.62 112.817 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -64.09 -43.46 95.33 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 117.981 0.891 . . . . 0.68000000000000005 109.803 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.1 t -57.83 -57.61 9.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 107.095 -1.446 . . . . 0.62 107.095 -175.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.4 m -58.13 -47.02 84.59 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 123.688 0.617 . . . . 0.62 110.791 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.8 m -58.47 -50.9 72.07 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 120.082 -0.647 . . . . 0.62 109.607 -174.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -52.06 -45.61 64.81 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 119.649 -0.82 . . . . 0.68000000000000005 111.594 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.319 4.3 pp -94.31 28.53 2.5 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 112.677 0.621 . . . . 0.62 112.677 -177.081 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.52 -47.13 98.66 Favored Pre-proline 0 C--N 1.353 0.735 0 CA-C-O 116.422 -1.751 . . . . 0.62 112.384 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -66.13 -28.01 48.89 Favored 'Trans proline' 0 C--N 1.359 1.126 0 CA-C-N 123.932 2.44 . . . . 0.53000000000000003 110.417 -177.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.6 m -60.56 -35.02 75.05 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 118.879 -1.129 . . . . 0.81999999999999995 109.766 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.463 HD22 HD11 ' A' ' 58' ' ' ILE . 47.9 mt -53.87 -48.53 69.94 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 120.515 1.507 . . . . 0.62 107.87 -177.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.78 84.63 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 120.631 -0.428 . . . . 0.62 110.818 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -60.67 -40.48 92.26 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.966 -1.016 . . . . 0.62 111.679 174.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.8 mt -66.05 -40.99 91.4 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.6 1.545 . . . . 0.62 110.432 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -56.62 -26.12 55.0 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 117.942 -1.028 . . . . 0.76000000000000001 110.956 173.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 83.31 59.15 0.01 OUTLIER 'General case' 0 C--N 1.355 0.841 0 CA-C-N 119.727 1.149 . . . . 0.68000000000000005 108.512 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.1 p -148.34 -67.9 0.23 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 109.718 -0.475 . . . . 0.62 109.718 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -91.22 142.09 15.96 Favored Glycine 0 C--N 1.355 1.625 0 CA-C-O 116.397 -2.335 . . . . 0.62 110.069 -176.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -71.74 -168.57 0.37 Allowed 'Trans proline' 0 C--N 1.356 0.94 0 CA-C-N 122.635 3.217 . . . . 0.53000000000000003 112.837 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.86 -36.88 70.26 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.599 -0.889 . . . . 0.62 108.599 -178.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.92 -124.93 37.27 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-O 117.61 -1.661 . . . . 0.62 110.13 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -99.05 25.49 6.7 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 119.68 1.74 . . . . 0.76000000000000001 110.39 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.5 t -60.59 -48.15 83.04 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-N 119.643 1.11 . . . . 0.81999999999999995 108.94 176.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.1 m -51.37 -41.6 60.77 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.895 -1.05 . . . . 0.81999999999999995 112.877 -175.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.49 -51.87 56.21 Favored Glycine 0 C--N 1.351 1.412 0 C-N-CA 119.103 -1.522 . . . . 0.62 110.07 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.87 -39.77 95.91 Favored Glycine 0 C--N 1.352 1.457 0 C-N-CA 119.885 -1.15 . . . . 0.62 111.88 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.55 -60.07 3.33 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 N-CA-C 105.902 -1.888 . . . . 0.62 105.902 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -46.36 -38.62 9.1 Favored 'General case' 0 C--O 1.224 -0.289 0 O-C-N 119.854 -1.779 . . . . 0.62 111.549 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.71 -48.94 70.29 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.439 1.018 . . . . 0.62 112.222 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 pp -60.6 -31.69 70.85 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 120.634 1.561 . . . . 0.62 108.906 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.23 -44.98 96.68 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 CA-C-N 119.395 0.998 . . . . 0.62 111.099 -175.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -53.86 -45.31 70.95 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 108.266 -1.012 . . . . 0.68000000000000005 108.266 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.9 m -89.52 59.64 4.84 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 108.856 -0.794 . . . . 0.62 108.856 172.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.93 -57.4 0.1 Allowed 'General case' 0 C--N 1.349 0.572 0 N-CA-C 106.729 -1.582 . . . . 0.62 106.729 177.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.6 mmm-85 -66.94 66.69 0.06 Allowed 'General case' 0 C--N 1.355 0.818 0 CA-C-N 119.192 0.905 . . . . 0.76000000000000001 112.984 177.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.9 m -140.32 40.99 1.92 Allowed 'General case' 0 C--N 1.351 0.662 0 N-CA-C 106.391 -1.707 . . . . 0.62 106.391 169.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.2 m 62.99 -66.26 0.09 Allowed 'General case' 0 C--N 1.355 0.844 0 N-CA-C 113.746 1.017 . . . . 0.62 113.746 -175.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -78.18 -49.77 13.19 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 119.691 1.132 . . . . 0.70999999999999996 110.238 -171.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -52.12 -50.55 61.46 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 119.396 -0.922 . . . . 0.70999999999999996 109.888 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . 0.273 0.0 OUTLIER -61.13 -33.86 74.07 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 118.161 -0.923 . . . . 0.76000000000000001 111.876 176.387 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -61.62 -42.66 99.19 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 121.455 1.934 . . . . 0.68000000000000005 109.033 177.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.5 mm -71.37 -46.08 66.31 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 N-CA-C 108.199 -1.037 . . . . 0.62 108.199 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.18 -52.06 47.82 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 119.059 0.845 . . . . 0.62 109.144 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.1 t -47.71 -47.94 29.76 Favored 'General case' 0 C--N 1.346 0.452 0 N-CA-C 112.85 0.685 . . . . 0.81999999999999995 112.85 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.9 m -69.16 -47.38 65.13 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 108.392 -0.966 . . . . 0.62 108.392 -177.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.6 m -52.6 -41.5 63.71 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 119.836 -0.745 . . . . 0.81999999999999995 110.62 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.85 -46.67 71.12 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 120.257 -0.577 . . . . 0.62 109.954 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -51.8 -42.98 62.89 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 119.22 -0.992 . . . . 0.62 108.534 175.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.3 m -65.75 -45.16 83.6 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 118.8 -0.619 . . . . 0.62 111.497 176.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.64 -46.01 91.91 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.358 0.981 . . . . 0.62 109.754 -177.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.41 -44.83 77.85 Favored 'General case' 0 C--N 1.351 0.674 0 N-CA-C 109.045 -0.724 . . . . 0.62 109.045 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.24 69.13 1.98 Allowed Glycine 0 C--N 1.353 1.486 0 N-CA-C 110.006 -1.238 . . . . 0.62 110.006 175.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -172.52 -53.85 0.02 OUTLIER 'General case' 0 C--N 1.354 0.783 0 CA-C-N 117.94 0.87 . . . . 0.62 110.596 -178.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.463 HD11 HD22 ' A' ' 15' ' ' LEU . 22.3 mm -47.34 126.4 2.33 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-O 117.969 -1.015 . . . . 0.62 109.004 177.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.7 t -70.5 -44.51 67.48 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 121.07 1.759 . . . . 0.62 114.327 -175.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -102.92 53.56 0.75 Allowed Glycine 0 C--N 1.352 1.453 0 N-CA-C 107.477 -2.249 . . . . 0.62 107.477 -174.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.3 tt -77.08 143.28 13.13 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 CA-C-O 117.741 -1.123 . . . . 0.62 112.264 -170.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -100.37 116.09 31.52 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 107.717 -1.216 . . . . 0.68000000000000005 107.717 172.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.3 tp -57.1 -47.13 81.82 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 118.983 0.81 . . . . 0.62 111.671 -175.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.08 -39.2 94.06 Favored Glycine 0 C--N 1.353 1.491 0 C-N-CA 119.577 -1.297 . . . . 0.62 111.323 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -69.23 -43.31 74.3 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.379 1.589 . . . . 0.62 109.522 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.51 -56.07 13.23 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 119.772 1.169 . . . . 0.62 109.157 173.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.93 -7.63 55.03 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 114.945 1.461 . . . . 0.62 114.945 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.59 -3.32 71.64 Favored Glycine 0 C--N 1.353 1.487 0 CA-C-O 117.462 -1.744 . . . . 0.62 113.423 173.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.403 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 96.6 mt -60.02 -42.45 90.33 Favored Pre-proline 0 C--N 1.354 0.764 0 CA-C-N 121.656 2.728 . . . . 0.62 113.26 179.035 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 38.1 Cg_exo -57.59 -49.68 12.78 Favored 'Trans proline' 0 C--N 1.357 0.992 0 CA-C-N 123.636 2.334 . . . . 0.53000000000000003 110.24 178.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.1 m -64.86 -43.69 92.14 Favored 'General case' 0 CA--C 1.506 -0.746 0 O-C-N 123.899 0.749 . . . . 0.62 109.679 -175.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.0 m -62.35 -52.22 64.49 Favored 'General case' 0 C--N 1.349 0.578 0 N-CA-C 108.339 -0.986 . . . . 0.62 108.339 -176.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 80.7 m -98.83 69.67 1.82 Allowed 'General case' 0 C--N 1.353 0.745 0 N-CA-C 106.536 -1.653 . . . . 0.81999999999999995 106.536 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -27.06 101.31 0.01 OUTLIER Glycine 0 C--N 1.352 1.469 0 CA-C-O 117.637 -1.646 . . . . 0.62 115.542 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.9 m -139.69 154.85 24.58 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 CA-C-N 119.778 1.789 . . . . 0.62 110.388 177.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -88.71 65.33 7.68 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.296 0.953 . . . . 0.68000000000000005 111.36 -173.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 16.1 pt -101.55 134.4 20.26 Favored Pre-proline 0 C--N 1.355 0.824 0 CA-C-O 115.316 -2.278 . . . . 0.62 110.693 -177.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -66.8 -49.52 1.51 Allowed 'Trans proline' 0 C--N 1.363 1.314 0 CA-C-N 125.054 2.841 . . . . 0.53000000000000003 110.584 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -63.61 153.99 34.18 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.116 -1.421 . . . . 0.62 109.833 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -107.52 27.64 8.93 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.833 1.197 . . . . 0.62 110.809 173.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 mt 52.09 42.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.474 0 CA-C-N 120.297 1.408 . . . . 0.62 110.234 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.8 t -105.52 139.06 19.8 Favored Pre-proline 0 C--N 1.354 0.802 0 CA-C-O 115.274 -2.298 . . . . 0.62 108.448 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.6 70.95 1.98 Allowed 'Trans proline' 0 C--N 1.355 0.876 0 CA-C-N 124.492 2.64 . . . . 0.53000000000000003 110.998 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.2 m -170.76 -53.71 0.02 OUTLIER 'General case' 0 C--N 1.355 0.833 0 CA-C-O 118.779 -0.629 . . . . 0.62 110.472 -175.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.0 t -37.19 116.8 0.48 Allowed 'General case' 0 C--N 1.356 0.863 0 CA-C-O 118.267 -0.873 . . . . 0.62 111.621 178.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -90.2 146.36 24.32 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 120.783 1.629 . . . . 0.70999999999999996 107.461 172.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 57.1 m -143.18 39.75 1.46 Allowed 'General case' 0 C--N 1.353 0.741 0 CA-C-N 118.718 0.69 . . . . 0.81999999999999995 110.759 171.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.67 -15.51 54.3 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-O 117.843 -1.075 . . . . 0.62 109.569 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.05 55.3 0.83 Allowed 'General case' 0 C--N 1.356 0.88 0 CA-C-N 119.975 1.261 . . . . 0.62 108.581 -177.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 25.5 t -60.94 135.71 25.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 CA-C-O 118.188 -0.911 . . . . 0.62 109.584 -176.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 . . . . . 0 C--O 1.263 1.775 0 CA-C-O 117.708 -1.139 . . . . 0.68000000000000005 108.108 175.336 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.188 0 CA-C-O 117.827 -1.082 . . . . 0.62 109.943 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.2 mm -80.52 149.2 5.2 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 N-CA-C 105.687 -1.968 . . . . 0.62 105.687 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.2 p -112.33 149.63 32.16 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 121.951 2.159 . . . . 0.62 112.776 178.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.1 t -65.06 -28.48 69.5 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-O 117.338 -1.315 . . . . 0.81999999999999995 112.221 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.47 -46.04 88.4 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-N 120.504 1.502 . . . . 0.62 111.829 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -61.89 -45.69 92.64 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 117.922 0.861 . . . . 0.68000000000000005 109.395 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.4 HG13 HD22 ' A' ' 34' ' ' LEU . 93.7 t -59.53 -49.56 83.18 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 N-CA-C 106.304 -1.739 . . . . 0.62 106.304 -178.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.0 m -51.1 -46.52 61.86 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 121.748 -0.595 . . . . 0.62 109.855 -176.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.7 m -54.19 -43.62 70.87 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 120.271 -0.571 . . . . 0.62 111.741 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -58.42 -33.74 70.01 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 119.127 0.876 . . . . 0.68000000000000005 112.55 177.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -77.78 -1.02 29.35 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 115.488 -2.196 . . . . 0.62 110.46 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.37 -54.78 5.87 Favored Pre-proline 0 C--N 1.359 0.98 0 CA-C-N 122.509 2.413 . . . . 0.62 112.888 -174.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.08 -22.78 18.98 Favored 'Trans proline' 0 C--N 1.362 1.252 0 CA-C-N 122.011 1.754 . . . . 0.53000000000000003 111.901 -178.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.0 m -73.67 -40.16 63.89 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.962 -1.018 . . . . 0.81999999999999995 108.404 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.425 HD22 HD11 ' A' ' 58' ' ' ILE . 26.1 mt -42.89 -44.02 4.35 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.486 1.039 . . . . 0.62 109.961 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.72 98.32 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 121.794 -0.566 . . . . 0.62 111.273 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -61.97 -39.76 93.25 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 118.772 0.714 . . . . 0.62 110.641 173.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.7 mt -57.5 -34.47 69.1 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 119.1 0.864 . . . . 0.62 109.961 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.5 ttt85 -85.71 22.04 1.72 Allowed 'General case' 0 C--N 1.354 0.781 0 CA-C-O 118.946 -0.55 . . . . 0.76000000000000001 111.893 174.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 39.82 29.7 0.05 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-N 121.221 1.828 . . . . 0.68000000000000005 115.309 -174.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.2 m -106.89 -57.65 2.04 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 119.431 1.014 . . . . 0.62 110.204 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.69 153.54 17.46 Favored Glycine 0 C--N 1.354 1.547 0 CA-C-O 117.512 -1.716 . . . . 0.62 110.127 -177.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -72.45 -178.8 3.56 Favored 'Trans proline' 0 C--N 1.357 1.017 0 CA-C-N 121.423 2.612 . . . . 0.53000000000000003 112.755 -178.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mp -74.9 -53.86 8.28 Favored 'General case' 0 C--N 1.351 0.64 0 N-CA-C 109.015 -0.735 . . . . 0.62 109.015 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.58 -120.53 7.78 Favored Glycine 0 C--N 1.354 1.53 0 N-CA-C 110.313 -1.115 . . . . 0.62 110.313 -176.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -76.85 -2.94 35.95 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 119.083 1.442 . . . . 0.76000000000000001 114.479 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.6 t -46.01 -47.74 16.76 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 121.028 1.74 . . . . 0.81999999999999995 109.841 172.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 67.6 m -54.08 -37.61 64.43 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 118.683 0.674 . . . . 0.81999999999999995 111.461 -175.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.22 -48.26 87.0 Favored Glycine 0 C--N 1.351 1.401 0 C-N-CA 119.757 -1.211 . . . . 0.62 110.814 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.05 -47.61 86.1 Favored Glycine 0 C--N 1.353 1.515 0 N-CA-C 108.947 -1.661 . . . . 0.62 108.947 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.4 t -52.15 -44.38 40.46 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 109.094 -0.706 . . . . 0.62 109.094 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -56.73 -47.1 80.76 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 121.625 -0.672 . . . . 0.62 111.003 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.12 -28.22 68.94 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 119.958 1.253 . . . . 0.62 111.656 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.4 HD22 HG13 ' A' ' 7' ' ' VAL . 24.4 mt -64.14 -31.52 72.75 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.915 1.234 . . . . 0.62 109.538 175.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.1 t -54.97 -51.25 55.45 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 CA-C-N 120.255 1.389 . . . . 0.62 108.935 177.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -68.49 -39.45 81.29 Favored 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 107.838 -1.171 . . . . 0.68000000000000005 107.838 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 m -79.4 62.1 3.64 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 106.643 -1.614 . . . . 0.62 106.643 172.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -172.24 -54.13 0.02 OUTLIER 'General case' 0 C--N 1.353 0.736 0 N-CA-C 109.366 -0.605 . . . . 0.62 109.366 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . 0.25 1.4 mmp_? -79.09 59.01 2.6 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 121.528 -0.732 . . . . 0.76000000000000001 112.349 174.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 m -147.08 39.87 1.03 Allowed 'General case' 0 C--N 1.358 0.935 0 N-CA-C 107.562 -1.273 . . . . 0.62 107.562 169.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.6 m 52.98 -75.01 0.01 OUTLIER 'General case' 0 C--N 1.356 0.882 0 N-CA-C 115.919 1.822 . . . . 0.62 115.919 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -71.47 -40.66 70.14 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 121.179 1.809 . . . . 0.70999999999999996 108.586 -175.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -45.58 -52.49 10.48 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-O 117.671 -1.157 . . . . 0.70999999999999996 111.732 176.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -35.9 76.15 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-N 121.544 1.975 . . . . 0.76000000000000001 109.785 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -61.89 -41.93 98.47 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 119.098 -1.041 . . . . 0.68000000000000005 108.937 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.0 mm -72.04 -49.44 44.07 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 N-CA-C 108.654 -0.869 . . . . 0.62 108.654 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.34 -63.49 1.13 Allowed 'General case' 0 C--N 1.353 0.732 0 CA-C-N 120.112 1.324 . . . . 0.62 109.842 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.5 p -47.65 -44.19 26.79 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 119.844 1.202 . . . . 0.81999999999999995 113.047 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.428 HG23 ' HB2' ' A' ' 87' ' ' CYS . 13.5 p -68.24 -48.83 64.07 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-N 119.86 1.209 . . . . 0.62 110.027 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 51.7 t -52.36 -40.58 62.16 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 119.114 -1.035 . . . . 0.81999999999999995 110.567 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.6 mt -77.94 -42.23 33.66 Favored 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 119.849 -0.74 . . . . 0.62 110.208 -175.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -47.04 -48.62 22.18 Favored 'General case' 0 C--N 1.347 0.494 0 N-CA-C 108.576 -0.898 . . . . 0.62 108.576 171.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.5 t -63.35 -48.98 75.69 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.693 -0.67 . . . . 0.62 110.954 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.62 -54.55 40.02 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.587 1.085 . . . . 0.62 109.783 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.56 -51.04 29.68 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.251 -0.648 . . . . 0.62 109.251 -177.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.16 -38.54 94.58 Favored Glycine 0 C--N 1.354 1.56 0 C-N-CA 120.06 -1.066 . . . . 0.62 111.887 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.68 -29.84 69.22 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 118.88 1.34 . . . . 0.62 112.602 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.425 HD11 HD22 ' A' ' 15' ' ' LEU . 47.8 mm -61.64 136.84 24.63 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-N 120.31 1.414 . . . . 0.62 110.751 -175.071 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.9 p -69.06 -53.07 22.33 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 119.406 1.003 . . . . 0.62 113.524 -178.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -99.77 40.83 2.32 Favored Glycine 0 C--N 1.355 1.588 0 CA-C-N 119.317 0.962 . . . . 0.62 110.782 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.9 tp -52.02 122.17 2.41 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-O 117.0 -1.476 . . . . 0.62 112.009 -175.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -100.49 115.51 30.25 Favored 'General case' 0 C--N 1.359 1.009 0 CA-C-N 121.386 1.903 . . . . 0.68000000000000005 108.895 171.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.2 tp -54.13 -45.43 71.93 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-N 118.928 0.786 . . . . 0.62 111.419 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.19 -44.14 93.3 Favored Glycine 0 C--N 1.354 1.576 0 C-N-CA 120.212 -0.994 . . . . 0.62 113.331 -176.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -72.66 -39.74 66.88 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 119.051 1.426 . . . . 0.62 109.244 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.5 -57.29 13.33 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.697 1.135 . . . . 0.62 110.695 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.29 -28.35 66.2 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-O 117.98 -1.009 . . . . 0.62 111.17 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -80.22 1.49 80.53 Favored Glycine 0 C--N 1.354 1.556 0 CA-C-O 117.765 -1.575 . . . . 0.62 113.188 173.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.78 -49.26 90.28 Favored Pre-proline 0 C--N 1.355 0.829 0 CA-C-N 121.161 2.48 . . . . 0.62 110.922 -177.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -65.47 -31.85 50.57 Favored 'Trans proline' 0 C--N 1.365 1.447 0 CA-C-N 124.499 2.642 . . . . 0.53000000000000003 111.281 177.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 m -67.89 -39.07 83.7 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 118.55 0.614 . . . . 0.62 111.552 -178.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 80.4 m -62.27 -40.34 95.9 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 107.907 -1.145 . . . . 0.62 107.907 -177.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.2 m -116.91 88.07 2.83 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 106.664 -1.606 . . . . 0.81999999999999995 106.664 172.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.71 127.65 3.11 Favored Glycine 0 C--N 1.356 1.653 0 CA-C-O 118.465 -1.186 . . . . 0.62 113.224 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -151.42 161.41 3.34 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 CA-C-N 118.725 1.263 . . . . 0.62 107.765 -177.086 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -84.13 54.52 2.97 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 120.909 1.686 . . . . 0.68000000000000005 110.497 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.0 mt -91.31 120.89 68.28 Favored Pre-proline 0 C--N 1.355 0.813 0 CA-C-O 116.374 -1.774 . . . . 0.62 107.878 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -86.97 65.27 4.42 Favored 'Trans proline' 0 C--N 1.363 1.301 0 CA-C-N 123.616 2.327 . . . . 0.53000000000000003 111.474 177.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . 0.251 23.7 p90 -179.38 146.48 0.28 Allowed 'General case' 0 C--O 1.217 -0.647 0 CA-C-O 118.528 -0.749 . . . . 0.62 109.682 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -112.17 50.27 0.87 Allowed 'General case' 0 C--N 1.353 0.74 0 CA-C-N 120.534 1.516 . . . . 0.62 107.013 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.4 mt 29.75 59.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.349 0.553 0 CA-C-N 114.672 -1.149 . . . . 0.62 113.317 175.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.2 m -83.55 134.58 44.78 Favored Pre-proline 0 C--N 1.352 0.684 0 CA-C-O 116.091 -1.909 . . . . 0.62 109.269 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -65.02 11.97 0.11 Allowed 'Trans proline' 0 C--N 1.363 1.295 0 CA-C-N 123.648 2.338 . . . . 0.53000000000000003 116.209 170.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.5 p -140.95 26.91 2.02 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 121.135 1.789 . . . . 0.62 111.468 176.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.0 t -79.42 146.4 32.81 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 119.893 1.224 . . . . 0.62 112.532 -177.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -88.31 145.08 26.03 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 107.771 -1.196 . . . . 0.70999999999999996 107.771 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.428 ' HB2' HG23 ' A' ' 49' ' ' THR . 73.8 m -135.48 28.2 3.35 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 119.363 0.983 . . . . 0.81999999999999995 112.739 176.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.9 p -99.74 -31.53 11.5 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 117.319 -1.324 . . . . 0.62 112.937 -172.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.97 49.56 1.55 Allowed 'General case' 0 C--N 1.356 0.85 0 CA-C-N 120.592 1.542 . . . . 0.62 108.078 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 89.5 t -93.99 139.12 18.95 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.68 0 CA-C-O 118.514 -0.755 . . . . 0.62 110.211 -177.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 . . . . . 0 C--O 1.264 1.823 0 N-CA-C 107.633 -1.247 . . . . 0.68000000000000005 107.633 178.72 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 N-CA-C 110.15 -0.315 . . . . 0.62 110.15 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.4 mm -93.38 157.71 2.95 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.755 0 N-CA-C 108.394 -0.965 . . . . 0.62 108.394 -174.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.8 m -143.69 150.27 38.43 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 118.742 0.701 . . . . 0.62 109.419 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.9 m -54.07 -32.41 54.58 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-O 117.918 -1.039 . . . . 0.81999999999999995 113.575 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.85 -50.04 51.91 Favored Glycine 0 C--N 1.351 1.405 0 CA-C-N 120.67 1.577 . . . . 0.62 112.562 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -57.78 -35.1 70.33 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 118.217 1.009 . . . . 0.68000000000000005 110.679 177.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.2 t -75.17 -51.99 19.91 Favored 'Isoleucine or valine' 0 C--N 1.35 0.602 0 N-CA-C 109.257 -0.646 . . . . 0.62 109.257 -172.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 m -56.54 -38.6 72.09 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 118.103 0.411 . . . . 0.62 110.24 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.1 m -65.17 -53.53 43.44 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 120.586 -0.446 . . . . 0.62 110.722 -177.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -60.92 -41.95 97.17 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 119.759 -0.776 . . . . 0.68000000000000005 110.18 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.439 HD22 ' CD2' ' A' ' 51' ' ' LEU 0.307 5.5 mp -79.71 18.67 0.74 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.426 -1.273 . . . . 0.62 114.086 179.379 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.99 -54.02 54.8 Favored Pre-proline 0 C--N 1.353 0.737 0 CA-C-N 121.865 2.12 . . . . 0.62 112.821 -175.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -70.14 -28.57 23.26 Favored 'Trans proline' 0 C--N 1.362 1.287 0 CA-C-N 124.056 2.484 . . . . 0.53000000000000003 110.394 -177.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.6 m -60.56 -38.79 85.71 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 108.697 -0.853 . . . . 0.81999999999999995 108.697 177.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.5 mt -54.95 -44.94 74.78 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 119.88 1.218 . . . . 0.62 109.011 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.98 88.07 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 119.714 -0.795 . . . . 0.62 110.305 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -62.84 -37.96 88.89 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 112.722 0.638 . . . . 0.62 112.722 175.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.44 -40.28 96.08 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 119.224 0.92 . . . . 0.62 109.832 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -65.81 -10.77 40.75 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 118.16 -0.924 . . . . 0.76000000000000001 112.233 175.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.9 t30 63.58 58.82 1.26 Allowed 'General case' 0 C--N 1.356 0.871 0 CA-C-N 120.426 1.466 . . . . 0.68000000000000005 108.846 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -159.87 -49.98 0.05 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.058 -1.448 . . . . 0.62 113.015 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -98.94 147.91 18.65 Favored Glycine 0 C--N 1.359 1.839 0 CA-C-N 121.407 1.912 . . . . 0.62 109.177 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -72.72 136.5 25.68 Favored 'Trans proline' 0 C--N 1.354 0.865 0 CA-C-N 121.418 2.609 . . . . 0.53000000000000003 114.799 -174.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -58.95 -32.59 69.76 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 120.342 1.428 . . . . 0.62 112.083 173.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.15 -132.11 19.17 Favored Glycine 0 C--N 1.348 1.218 0 CA-C-O 117.877 -1.513 . . . . 0.62 113.078 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -91.25 31.24 1.15 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.639 1.72 . . . . 0.76000000000000001 112.241 -177.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 46.5 t -55.12 -39.93 69.94 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 120.126 1.33 . . . . 0.81999999999999995 110.242 175.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.7 m -47.71 -38.58 15.55 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 112.414 0.524 . . . . 0.81999999999999995 112.414 -172.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.09 -51.04 58.29 Favored Glycine 0 C--N 1.35 1.342 0 C-N-CA 119.946 -1.121 . . . . 0.62 111.823 178.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.0 -31.28 80.3 Favored Glycine 0 C--N 1.353 1.482 0 C-N-CA 119.7 -1.238 . . . . 0.62 111.713 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.42 -53.42 47.57 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 N-CA-C 106.898 -1.519 . . . . 0.62 106.898 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -49.89 -48.36 51.48 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 116.549 -0.296 . . . . 0.62 110.935 -176.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.61 -48.04 58.05 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 119.532 -0.867 . . . . 0.62 110.714 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.7 mt -67.61 -28.73 67.99 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 118.293 -0.861 . . . . 0.62 112.863 -177.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.2 t -47.85 -46.82 12.17 Favored 'Isoleucine or valine' 0 C--N 1.348 0.51 0 N-CA-C 107.439 -1.319 . . . . 0.62 107.439 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -55.01 -44.54 74.66 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 109.158 -0.682 . . . . 0.68000000000000005 109.158 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 94.9 p -91.47 47.94 1.43 Allowed 'General case' 0 C--N 1.35 0.595 0 CA-C-O 119.403 -0.332 . . . . 0.62 110.737 171.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -158.89 48.44 0.33 Allowed 'General case' 0 C--N 1.348 0.502 0 N-CA-C 109.228 -0.656 . . . . 0.62 109.228 171.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.85 -41.36 0.15 Allowed 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 117.199 -1.381 . . . . 0.76000000000000001 112.189 -173.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.81 46.31 0.01 OUTLIER 'General case' 0 C--N 1.36 1.031 0 CA-C-N 122.01 2.186 . . . . 0.62 116.543 175.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.7 m 67.46 -57.34 0.44 Allowed 'General case' 0 N--CA 1.478 0.97 0 O-C-N 118.672 -2.517 . . . . 0.62 115.777 176.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -79.87 -67.26 0.78 Allowed 'General case' 0 C--N 1.352 0.702 0 N-CA-C 107.1 -1.445 . . . . 0.70999999999999996 107.1 -177.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 44' ' ' ARG . 3.2 p30 -48.28 -44.96 34.18 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 110.016 -0.364 . . . . 0.70999999999999996 110.016 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.426 ' N ' ' OD1' ' A' ' 43' ' ' ASP . 46.2 ttp180 -42.06 -50.37 4.69 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 113.324 0.861 . . . . 0.76000000000000001 113.324 176.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -76.25 -39.4 54.55 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 109.048 -0.723 . . . . 0.68000000000000005 109.048 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mp -53.95 -50.26 54.47 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-N 118.701 0.682 . . . . 0.62 109.966 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.01 -43.06 79.71 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 108.293 -1.003 . . . . 0.62 108.293 -174.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.2 t -53.03 -55.42 23.81 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 118.357 -0.83 . . . . 0.81999999999999995 110.963 175.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.8 t -65.04 -38.82 92.12 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.431 1.468 . . . . 0.62 111.491 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 94.7 m -60.72 -47.94 84.05 Favored 'General case' 0 CA--C 1.505 -0.756 0 C-N-CA 119.29 -0.964 . . . . 0.81999999999999995 109.583 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.562 ' HB3' HG23 ' A' ' 81' ' ' ILE . 19.6 mt -66.05 -52.7 46.58 Favored 'General case' 0 CA--C 1.504 -0.804 0 C-N-CA 119.097 -1.041 . . . . 0.62 109.943 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.517 ' HG3' ' HA ' ' A' ' 83' ' ' PRO . 55.4 tttm -39.34 -42.88 1.1 Allowed 'General case' 0 C--N 1.344 0.357 0 C-N-CA 120.367 -0.533 . . . . 0.62 110.083 172.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.4 m -71.48 -50.3 32.91 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 118.419 0.554 . . . . 0.62 110.951 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.51 -44.57 80.87 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 118.865 0.757 . . . . 0.62 110.165 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.32 -59.54 4.98 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 108.878 -0.786 . . . . 0.62 108.878 173.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.91 -23.42 61.37 Favored Glycine 0 C--N 1.35 1.339 0 C-N-CA 120.062 -1.066 . . . . 0.62 113.289 -174.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.69 -25.97 67.74 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.539 1.67 . . . . 0.62 112.134 176.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.4 mt -80.4 132.03 32.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 CA-C-N 119.783 1.174 . . . . 0.62 109.168 -174.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.0 m -76.33 -49.33 17.19 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-N 120.21 1.368 . . . . 0.62 109.892 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.49 40.16 2.57 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-N 119.237 0.926 . . . . 0.62 112.406 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.8 tt -64.2 138.64 22.71 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 CA-C-N 119.469 1.635 . . . . 0.62 110.54 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -92.22 123.02 35.25 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.406 1.003 . . . . 0.68000000000000005 109.288 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.7 -50.92 63.11 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 119.269 0.941 . . . . 0.62 109.254 -174.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.67 -43.24 94.48 Favored Glycine 0 C--N 1.351 1.414 0 CA-C-O 118.369 -1.239 . . . . 0.62 111.863 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -70.87 -31.08 67.64 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 119.709 1.755 . . . . 0.62 110.6 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.48 -51.51 68.17 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 120.623 1.556 . . . . 0.62 109.45 171.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.37 -26.63 62.88 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 118.767 -1.173 . . . . 0.62 111.595 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -78.47 -22.3 67.65 Favored Glycine 0 C--N 1.353 1.496 0 CA-C-O 118.47 -1.183 . . . . 0.62 113.061 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.411 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 51.9 tp -49.35 -50.56 64.16 Favored Pre-proline 0 C--N 1.348 0.531 0 CA-C-N 120.61 2.205 . . . . 0.62 113.987 -178.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 44.2 Cg_endo -64.26 -21.71 67.07 Favored 'Trans proline' 0 C--N 1.357 0.981 0 CA-C-N 124.475 2.634 . . . . 0.53000000000000003 111.866 177.306 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.7 t -77.05 -52.95 8.44 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.848 1.204 . . . . 0.62 108.89 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.5 m -60.28 -47.39 86.22 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 109.31 -0.626 . . . . 0.62 109.31 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 38.6 m -92.49 69.33 4.94 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 107.708 -1.219 . . . . 0.81999999999999995 107.708 169.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -31.94 108.51 0.03 OUTLIER Glycine 0 C--N 1.35 1.355 0 CA-C-O 117.988 -1.451 . . . . 0.62 113.625 175.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 m -143.94 155.76 15.77 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 CA-C-N 119.606 1.703 . . . . 0.62 110.618 176.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -88.32 57.47 4.27 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 119.367 0.985 . . . . 0.68000000000000005 110.706 -176.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 13.4 pt -97.28 135.16 21.97 Favored Pre-proline 0 C--N 1.358 0.952 0 CA-C-O 117.19 -1.386 . . . . 0.62 110.193 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -87.54 51.41 2.15 Favored 'Trans proline' 0 C--N 1.357 1.023 0 CA-C-N 122.45 1.911 . . . . 0.53000000000000003 112.173 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -163.67 142.06 7.72 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-O 117.496 -1.24 . . . . 0.62 110.109 176.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -87.94 28.48 1.03 Allowed 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.741 1.609 . . . . 0.62 113.408 -175.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.562 HG23 ' HB3' ' A' ' 51' ' ' LEU . 5.3 mt 44.69 36.09 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.712 0 O-C-N 120.865 -1.147 . . . . 0.62 110.62 177.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.2 m -95.43 130.53 31.9 Favored Pre-proline 0 C--N 1.353 0.751 0 CA-C-O 116.086 -1.911 . . . . 0.62 108.022 -171.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.517 ' HA ' ' HG3' ' A' ' 52' ' ' LYS . 67.0 Cg_endo -75.18 66.29 6.19 Favored 'Trans proline' 0 C--N 1.363 1.308 0 CA-C-N 124.349 2.589 . . . . 0.53000000000000003 110.77 -178.145 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.6 p -177.84 -53.14 0.01 OUTLIER 'General case' 0 C--N 1.354 0.773 0 CA-C-O 118.362 -0.828 . . . . 0.62 110.717 -174.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.2 t -42.99 143.54 0.73 Allowed 'General case' 0 C--N 1.357 0.9 0 CA-C-N 119.415 1.007 . . . . 0.62 112.375 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -71.28 127.32 32.18 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 118.258 -0.877 . . . . 0.70999999999999996 108.825 176.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 78.0 m -78.1 -28.37 48.63 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.694 1.134 . . . . 0.81999999999999995 110.343 170.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.4 m -51.64 -45.3 63.27 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 120.193 1.36 . . . . 0.62 113.245 -172.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -89.66 27.21 1.56 Allowed 'General case' 0 C--N 1.357 0.898 0 CA-C-N 120.161 1.346 . . . . 0.62 111.498 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 49.5 t -76.35 117.09 20.43 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 O-C-N 119.444 -2.035 . . . . 0.62 110.198 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 . . . . . 0 C--O 1.259 1.581 0 CA-C-O 118.167 -0.92 . . . . 0.68000000000000005 110.104 177.319 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 118.717 -0.659 . . . . 0.62 110.153 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -48.28 150.94 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.612 0 CA-C-O 118.413 -0.803 . . . . 0.62 112.719 175.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 m -161.69 148.49 14.21 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 120.43 1.468 . . . . 0.62 111.298 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 85.1 m -53.82 -33.59 56.63 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 115.128 1.529 . . . . 0.81999999999999995 115.128 -178.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.01 -50.2 62.88 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-N 120.989 1.722 . . . . 0.62 111.03 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -60.85 -45.11 95.78 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 118.171 0.985 . . . . 0.68000000000000005 109.668 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.473 HG13 HD13 ' A' ' 34' ' ' LEU . 89.6 t -58.41 -56.25 17.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 107.633 -1.247 . . . . 0.62 107.633 -177.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.0 m -59.21 -39.38 82.49 Favored 'General case' 0 C--N 1.347 0.496 0 N-CA-C 109.14 -0.689 . . . . 0.62 109.14 -174.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.1 m -63.62 -52.11 62.31 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 120.225 -0.59 . . . . 0.62 110.218 -179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -53.93 -32.02 52.25 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 119.851 -0.74 . . . . 0.68000000000000005 111.393 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.733 HD11 HD23 ' A' ' 51' ' ' LEU . 96.3 mt -71.16 2.92 3.98 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 116.134 -1.888 . . . . 0.62 113.338 177.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.72 -56.17 9.11 Favored Pre-proline 0 C--N 1.358 0.941 0 CA-C-N 123.508 2.867 . . . . 0.62 115.152 -172.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.33 -15.58 22.47 Favored 'Trans proline' 0 C--N 1.362 1.246 0 CA-C-N 123.776 2.384 . . . . 0.53000000000000003 111.248 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.7 m -73.51 -48.98 29.0 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 119.969 1.259 . . . . 0.81999999999999995 107.656 176.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.8 mt -46.05 -44.6 15.49 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 109.358 -0.608 . . . . 0.62 109.358 178.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.81 -44.95 90.94 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 120.409 -0.516 . . . . 0.62 111.497 177.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -59.69 -45.13 93.02 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.018 0.826 . . . . 0.62 110.192 175.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.4 mt -59.45 -40.69 87.65 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 118.54 0.609 . . . . 0.62 111.333 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -69.21 -5.69 24.3 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-O 117.729 -1.129 . . . . 0.76000000000000001 112.574 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 65.24 59.12 0.84 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.819 1.645 . . . . 0.68000000000000005 109.104 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -160.19 -46.89 0.05 OUTLIER 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.396 -1.288 . . . . 0.62 113.0 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.44 159.37 16.99 Favored Glycine 0 C--N 1.358 1.786 0 CA-C-O 117.341 -1.811 . . . . 0.62 110.914 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -81.14 174.35 10.88 Favored 'Trans proline' 0 C--N 1.358 1.057 0 CA-C-N 121.47 2.635 . . . . 0.53000000000000003 112.237 -178.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mp -64.84 -47.25 78.64 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.893 -0.575 . . . . 0.62 110.186 176.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 51.61 -120.47 10.26 Favored Glycine 0 C--N 1.351 1.38 0 CA-C-O 117.581 -1.677 . . . . 0.62 112.036 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -89.55 18.52 5.3 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-N 120.358 2.079 . . . . 0.76000000000000001 112.391 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.3 t -55.26 -52.14 64.37 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 120.091 1.314 . . . . 0.81999999999999995 109.938 176.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.4 m -55.91 -37.41 68.86 Favored 'General case' 0 C--N 1.347 0.466 0 C-N-CA 118.851 -1.139 . . . . 0.81999999999999995 109.73 -176.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.6 -48.17 87.35 Favored Glycine 0 C--N 1.354 1.55 0 C-N-CA 120.037 -1.078 . . . . 0.62 111.611 176.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.82 -49.52 75.09 Favored Glycine 0 C--N 1.353 1.481 0 C-N-CA 119.267 -1.445 . . . . 0.62 109.746 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.5 t -52.91 -50.88 41.81 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 N-CA-C 108.253 -1.018 . . . . 0.62 108.253 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -49.27 -51.27 34.76 Favored 'General case' 0 C--N 1.35 0.611 0 N-CA-C 112.284 0.476 . . . . 0.62 112.284 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.81 -38.89 73.2 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 118.888 0.767 . . . . 0.62 111.426 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.473 HD13 HG13 ' A' ' 7' ' ' VAL . 48.5 mt -69.17 -44.79 71.5 Favored 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 108.955 -0.757 . . . . 0.62 108.955 -178.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 50.6 t -54.21 -48.37 66.54 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 109.218 -0.66 . . . . 0.62 109.218 -177.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -54.54 -43.97 72.44 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 119.572 -0.851 . . . . 0.68000000000000005 110.43 175.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.6 m -92.74 38.68 1.02 Allowed 'General case' 0 C--N 1.354 0.787 0 CA-C-N 119.242 0.928 . . . . 0.62 111.261 176.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -162.53 49.9 0.18 Allowed 'General case' 0 C--N 1.352 0.711 0 CA-C-O 118.376 -0.821 . . . . 0.62 109.347 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.11 36.71 0.93 Allowed 'General case' 0 C--N 1.356 0.889 0 CA-C-N 118.784 0.72 . . . . 0.76000000000000001 112.769 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.4 t -140.25 50.04 1.72 Allowed 'General case' 0 C--N 1.35 0.608 0 CA-C-N 119.507 1.048 . . . . 0.62 108.959 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.9 m 68.37 -71.4 0.11 Allowed 'General case' 0 C--N 1.353 0.722 0 N-CA-C 112.689 0.625 . . . . 0.62 112.689 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.89 -58.15 9.65 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 120.1 1.318 . . . . 0.70999999999999996 110.118 -174.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -62.87 -41.04 99.24 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 120.082 -0.647 . . . . 0.70999999999999996 111.491 -177.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.413 ' CZ ' ' CE1' ' A' ' 79' ' ' TYR . 3.7 tpm_? -48.6 -44.31 36.89 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 119.047 -0.502 . . . . 0.76000000000000001 111.074 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -62.46 -47.06 85.68 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.13 0.877 . . . . 0.68000000000000005 110.901 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.4 mm -62.53 -50.67 78.9 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 N-CA-C 107.102 -1.444 . . . . 0.62 107.102 -174.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.2 85.01 Favored 'General case' 0 CA--C 1.505 -0.772 0 C-N-CA 119.111 -1.036 . . . . 0.62 109.306 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.8 t -49.82 -50.21 45.97 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 120.045 1.293 . . . . 0.81999999999999995 110.798 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.57 -40.7 97.64 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.889 -0.724 . . . . 0.62 110.455 -178.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 57.7 m -70.08 -43.53 70.94 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 120.193 -0.603 . . . . 0.81999999999999995 111.878 -177.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.733 HD23 HD11 ' A' ' 11' ' ' LEU . 12.1 mt -58.38 -49.66 76.46 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 108.412 -0.959 . . . . 0.62 108.412 176.109 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -51.77 -51.98 52.24 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 116.377 -0.374 . . . . 0.62 110.488 174.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -60.5 -48.27 82.51 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.385 0.539 . . . . 0.62 111.023 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.87 -53.73 37.17 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 109.902 -0.407 . . . . 0.62 109.902 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.22 -52.25 66.49 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 119.982 -0.687 . . . . 0.62 109.797 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.03 -24.17 58.06 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-O 118.038 -1.423 . . . . 0.62 112.87 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.63 -22.74 67.06 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.232 2.016 . . . . 0.62 111.324 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 34.8 mm -78.94 130.27 36.38 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 CA-C-N 119.39 0.996 . . . . 0.62 110.147 -171.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.9 m -73.85 -53.43 10.21 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.4 1.0 . . . . 0.62 109.227 -174.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.73 45.88 2.92 Favored Glycine 0 C--N 1.356 1.659 0 N-CA-C 110.029 -1.228 . . . . 0.62 110.029 175.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 tt -56.38 131.24 19.75 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-N 118.52 1.16 . . . . 0.62 109.242 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -96.15 120.22 36.04 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.653 1.115 . . . . 0.68000000000000005 108.209 175.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.7 tt -61.2 -52.34 65.22 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.169 0.895 . . . . 0.62 109.699 -173.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.34 -43.45 93.77 Favored Glycine 0 C--N 1.353 1.503 0 CA-C-O 118.658 -1.079 . . . . 0.62 112.556 -176.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -66.44 -41.46 89.12 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 119.319 1.56 . . . . 0.62 109.328 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.11 82.78 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 120.389 1.449 . . . . 0.62 110.329 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.73 -29.03 65.18 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 119.368 -0.933 . . . . 0.62 112.276 177.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -79.71 -20.07 69.31 Favored Glycine 0 C--N 1.353 1.484 0 CA-C-O 118.542 -1.143 . . . . 0.62 112.445 176.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.4 tp -49.37 -56.46 16.14 Favored Pre-proline 0 C--N 1.352 0.704 0 CA-C-N 119.852 1.826 . . . . 0.62 112.672 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.27 -32.8 15.8 Favored 'Trans proline' 0 C--N 1.355 0.907 0 CA-C-N 123.587 2.317 . . . . 0.53000000000000003 110.191 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.7 m -58.75 -36.66 74.7 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 119.692 1.133 . . . . 0.62 110.029 176.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.7 m -56.7 -47.92 78.85 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 108.036 -1.098 . . . . 0.62 108.036 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 56.4 m -113.75 74.07 0.85 Allowed 'General case' 0 C--N 1.354 0.764 0 N-CA-C 108.659 -0.867 . . . . 0.81999999999999995 108.659 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.4 113.94 4.65 Favored Glycine 0 C--N 1.353 1.493 0 CA-C-O 118.223 -1.321 . . . . 0.62 112.46 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.12 -161.9 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.786 0 N-CA-C 105.098 -2.186 . . . . 0.62 105.098 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -71.58 72.63 0.74 Allowed 'General case' 0 C--N 1.356 0.864 0 CA-C-N 123.562 2.892 . . . . 0.68000000000000005 111.72 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.466 HG23 ' CZ ' ' A' ' 79' ' ' TYR . 43.5 mt -121.09 95.31 48.82 Favored Pre-proline 0 C--N 1.355 0.837 0 CA-C-O 116.906 -1.521 . . . . 0.62 109.431 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -83.98 57.16 5.34 Favored 'Trans proline' 0 C--N 1.362 1.238 0 CA-C-N 123.051 2.125 . . . . 0.53000000000000003 111.257 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.466 ' CZ ' HG23 ' A' ' 77' ' ' ILE . 34.0 p90 -166.71 174.87 8.31 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 117.004 -1.474 . . . . 0.62 109.462 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.76 45.47 2.81 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 121.092 1.769 . . . . 0.62 109.286 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 42.5 mt 35.88 52.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-N 115.312 -0.858 . . . . 0.62 109.656 -177.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.1 m -68.0 127.39 93.32 Favored Pre-proline 0 C--N 1.353 0.751 0 CA-C-O 116.015 -1.945 . . . . 0.62 108.495 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -67.32 4.63 1.17 Allowed 'Trans proline' 0 C--N 1.358 1.039 0 CA-C-N 124.788 2.746 . . . . 0.53000000000000003 113.67 172.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.7 m -140.31 34.0 1.89 Allowed 'General case' 0 C--N 1.358 0.953 0 CA-C-N 121.488 1.949 . . . . 0.62 111.096 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.5 t -83.06 152.88 25.17 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 120.031 1.287 . . . . 0.62 109.983 177.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -94.96 131.1 41.28 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 107.403 -1.332 . . . . 0.70999999999999996 107.403 174.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 90.1 m -135.74 48.89 2.18 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 119.261 0.937 . . . . 0.81999999999999995 109.016 174.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.8 p -92.98 -41.75 9.83 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-O 117.938 -1.03 . . . . 0.62 110.548 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -102.84 50.81 0.81 Allowed 'General case' 0 C--N 1.358 0.936 0 CA-C-N 120.432 1.469 . . . . 0.62 109.873 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 74.2 t -77.31 147.36 7.39 Favored 'Isoleucine or valine' 0 C--N 1.35 0.62 0 CA-C-O 117.743 -1.123 . . . . 0.62 108.069 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 . . . . . 0 C--O 1.263 1.812 0 CA-C-O 116.993 -1.479 . . . . 0.68000000000000005 110.062 179.404 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 119.094 -0.479 . . . . 0.62 110.72 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -69.91 150.04 10.33 Favored 'Isoleucine or valine' 0 C--N 1.349 0.546 0 CA-C-O 118.295 -0.86 . . . . 0.62 112.489 176.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.6 p -149.19 158.06 43.87 Favored 'General case' 0 C--N 1.36 1.028 0 CA-C-N 119.484 1.038 . . . . 0.62 109.861 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 80.5 m -49.31 -44.62 44.4 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 113.924 1.083 . . . . 0.81999999999999995 113.924 -177.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.91 -43.91 61.31 Favored Glycine 0 C--N 1.349 1.26 0 C-N-CA 119.179 -1.486 . . . . 0.62 111.44 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -69.28 -44.72 71.27 Favored 'General case' 0 C--N 1.351 0.665 0 N-CA-C 108.956 -0.757 . . . . 0.68000000000000005 108.956 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.1 t -59.63 -54.03 40.16 Favored 'Isoleucine or valine' 0 C--N 1.349 0.574 0 C-N-CA 120.034 -0.666 . . . . 0.62 109.552 -174.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.3 m -58.78 -41.04 85.71 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 119.85 -0.74 . . . . 0.62 109.725 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.9 t -58.97 -44.65 91.57 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 119.957 -0.697 . . . . 0.62 111.059 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -53.24 -42.92 66.93 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.218 0.917 . . . . 0.68000000000000005 110.163 175.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 mp -85.68 21.69 1.79 Allowed 'General case' 0 C--N 1.349 0.546 0 N-CA-C 113.915 1.08 . . . . 0.62 113.915 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.35 -52.81 59.48 Favored Pre-proline 0 C--N 1.353 0.756 0 CA-C-O 116.32 -1.8 . . . . 0.62 112.878 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -75.18 -16.11 19.99 Favored 'Trans proline' 0 C--N 1.361 1.228 0 CA-C-N 124.109 2.503 . . . . 0.53000000000000003 111.783 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.5 m -68.21 -35.27 77.7 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.989 1.268 . . . . 0.81999999999999995 109.88 172.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.3 mt -48.4 -42.99 33.51 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 108.434 -0.95 . . . . 0.62 108.434 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.532 ' HB1' ' HA3' ' A' ' 22' ' ' GLY . . . -55.68 -46.75 77.55 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 111.885 0.328 . . . . 0.62 111.885 175.151 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.41 ' CE1' ' HE2' ' A' ' 65' ' ' LYS . 79.4 t80 -60.37 -40.77 91.99 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 121.919 -0.488 . . . . 0.62 111.079 177.181 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.17 -35.95 81.82 Favored 'General case' 0 CA--C 1.508 -0.664 0 O-C-N 123.153 0.283 . . . . 0.62 111.718 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -63.81 -13.8 47.54 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 119.649 -0.821 . . . . 0.76000000000000001 111.881 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.6 t30 68.09 51.45 0.73 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-N 119.954 1.252 . . . . 0.68000000000000005 110.581 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.3 t -165.92 -47.98 0.03 OUTLIER 'General case' 0 C--N 1.352 0.684 0 CA-C-O 117.941 -1.028 . . . . 0.62 113.058 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.532 ' HA3' ' HB1' ' A' ' 16' ' ' ALA . . . -91.69 157.87 24.8 Favored Glycine 0 C--N 1.354 1.582 0 CA-C-N 120.637 1.562 . . . . 0.62 110.01 -177.141 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -73.93 175.13 11.24 Favored 'Trans proline' 0 C--N 1.354 0.838 0 CA-C-N 120.563 2.181 . . . . 0.53000000000000003 113.496 -175.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mp -75.4 -35.35 61.04 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 118.662 -0.685 . . . . 0.62 110.674 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.19 -121.26 21.53 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-O 117.725 -1.597 . . . . 0.62 110.758 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.4 mmt85 -99.28 37.64 1.53 Allowed 'General case' 0 C--N 1.358 0.942 0 CA-C-N 119.952 1.876 . . . . 0.76000000000000001 111.705 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.4 t -62.29 -54.03 46.48 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 121.597 -0.689 . . . . 0.81999999999999995 109.543 174.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.9 m -54.46 -42.09 70.23 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 118.661 -1.216 . . . . 0.81999999999999995 110.209 -176.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.22 -47.46 90.7 Favored Glycine 0 C--N 1.352 1.421 0 C-N-CA 119.656 -1.259 . . . . 0.62 112.145 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.57 -43.31 96.72 Favored Glycine 0 C--N 1.352 1.433 0 C-N-CA 119.494 -1.336 . . . . 0.62 111.628 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.0 t -60.93 -52.0 66.69 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 107.25 -1.389 . . . . 0.62 107.25 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -41.03 -47.46 3.09 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 112.532 0.567 . . . . 0.62 112.532 -178.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.72 95.32 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 118.878 -1.129 . . . . 0.62 110.112 -176.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.8 mt -70.21 -30.11 67.13 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-O 117.429 -1.272 . . . . 0.62 110.552 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.1 t -54.64 -47.41 72.75 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-N 121.827 2.103 . . . . 0.62 108.352 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -64.46 -37.67 88.35 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 119.624 -0.83 . . . . 0.68000000000000005 111.359 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 65.7 m -80.92 -40.36 24.73 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 118.347 0.521 . . . . 0.62 110.916 -176.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.32 46.53 0.11 Allowed 'General case' 0 C--N 1.348 0.534 0 C-N-CA 123.496 0.718 . . . . 0.62 112.511 175.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -136.29 42.8 2.53 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.534 1.061 . . . . 0.76000000000000001 109.589 171.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 42' ' ' GLU . 1.9 m -133.09 30.22 3.97 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 109.414 -0.587 . . . . 0.62 109.414 172.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.27 27.9 m 57.3 -73.04 0.02 OUTLIER 'General case' 0 C--N 1.355 0.838 0 N-CA-C 113.633 0.975 . . . . 0.62 113.633 -176.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 40' ' ' THR . 1.9 tm-20 -52.52 -51.93 57.17 Favored 'General case' 0 C--N 1.347 0.482 0 N-CA-C 107.634 -1.247 . . . . 0.70999999999999996 107.634 -178.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -63.56 -44.23 94.74 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 119.798 -0.761 . . . . 0.70999999999999996 112.656 -177.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -52.34 -41.11 62.74 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 112.856 0.687 . . . . 0.76000000000000001 112.856 176.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -60.47 -39.21 86.81 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 118.854 -1.138 . . . . 0.68000000000000005 110.149 -176.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.3 mm -62.37 -50.04 81.52 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 N-CA-C 108.104 -1.073 . . . . 0.62 108.104 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.55 -63.19 1.2 Allowed 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.376 0.989 . . . . 0.62 111.18 -177.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.2 p -60.85 -41.47 95.94 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 118.023 -0.989 . . . . 0.81999999999999995 112.621 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 49.5 m -66.45 -45.7 78.91 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.59 1.541 . . . . 0.62 109.79 -175.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 89.3 m -60.9 -43.52 98.39 Favored 'General case' 0 CA--C 1.511 -0.545 0 O-C-N 121.035 -1.041 . . . . 0.81999999999999995 110.517 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.479 HD13 HD13 ' A' ' 81' ' ' ILE . 35.9 mt -68.24 -43.24 78.34 Favored 'General case' 0 CA--C 1.507 -0.677 0 C-N-CA 119.343 -0.943 . . . . 0.62 110.212 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.48 ' HG3' ' HA ' ' A' ' 83' ' ' PRO . 37.7 tttp -46.24 -52.08 13.19 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 109.054 -0.721 . . . . 0.62 109.054 175.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.8 p -66.81 -42.8 85.33 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 118.384 -0.817 . . . . 0.62 110.948 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.26 -53.96 52.34 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 120.178 1.354 . . . . 0.62 109.407 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.48 -49.31 64.96 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 120.233 -0.587 . . . . 0.62 110.013 175.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.68 -35.0 56.76 Favored Glycine 0 C--N 1.35 1.358 0 C-N-CA 119.534 -1.317 . . . . 0.62 112.317 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.51 -32.56 72.62 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 118.896 1.348 . . . . 0.62 113.087 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 58' ' ' ILE . 68.4 mt -67.68 132.29 32.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 CA-C-N 119.729 1.15 . . . . 0.62 108.778 -176.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.5 m -71.82 -52.21 18.6 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 120.101 1.318 . . . . 0.62 113.152 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.19 41.17 3.08 Favored Glycine 0 C--N 1.355 1.598 0 CA-C-N 119.504 1.047 . . . . 0.62 111.565 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.13 138.14 22.88 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 CA-C-O 117.626 -1.178 . . . . 0.62 109.136 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -110.78 127.22 55.29 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 119.102 0.865 . . . . 0.68000000000000005 109.69 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.43 -48.84 76.12 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 109.284 -0.636 . . . . 0.62 109.284 -173.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.24 -39.84 95.1 Favored Glycine 0 C--N 1.351 1.399 0 C-N-CA 119.84 -1.171 . . . . 0.62 112.173 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.41 ' HE2' ' CE1' ' A' ' 17' ' ' TYR . 13.2 mmmm -66.71 -40.31 88.38 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 118.256 1.028 . . . . 0.62 109.203 -178.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.56 -55.51 31.14 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 119.513 -0.875 . . . . 0.62 112.39 173.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.55 -16.52 63.77 Favored 'General case' 0 C--N 1.346 0.442 0 C-N-CA 118.895 -1.122 . . . . 0.62 112.5 175.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.86 -26.06 74.82 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-N 120.661 1.573 . . . . 0.62 113.745 175.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.0 mt -48.89 -56.79 13.5 Favored Pre-proline 0 C--N 1.351 0.658 0 CA-C-N 120.22 2.01 . . . . 0.62 114.325 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.22 -22.06 55.16 Favored 'Trans proline' 0 C--N 1.36 1.166 0 CA-C-N 123.927 2.438 . . . . 0.53000000000000003 113.064 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.2 t -83.85 -53.23 5.75 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 119.419 1.009 . . . . 0.62 109.671 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.7 m -67.94 -46.83 70.36 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 118.302 0.501 . . . . 0.62 110.642 -177.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 86.9 m -90.83 64.88 5.65 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 107.452 -1.314 . . . . 0.81999999999999995 107.452 171.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -36.21 101.43 0.01 OUTLIER Glycine 0 C--N 1.351 1.417 0 CA-C-O 117.763 -1.576 . . . . 0.62 114.53 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 7.8 m -141.08 157.05 22.43 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 CA-C-N 119.449 1.625 . . . . 0.62 110.126 176.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -80.98 61.73 4.69 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 118.974 0.806 . . . . 0.68000000000000005 110.52 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.3 pt -89.26 119.01 69.66 Favored Pre-proline 0 C--N 1.359 1.002 0 CA-C-O 116.837 -1.554 . . . . 0.62 107.977 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -81.85 54.28 4.98 Favored 'Trans proline' 0 C--N 1.356 0.952 0 CA-C-N 123.049 2.125 . . . . 0.53000000000000003 110.966 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -171.98 133.36 0.71 Allowed 'General case' 0 C--N 1.352 0.694 0 CA-C-O 117.334 -1.317 . . . . 0.62 108.534 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -82.29 134.44 35.27 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 105.251 -2.129 . . . . 0.62 105.251 176.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.479 HD13 HD13 ' A' ' 51' ' ' LEU . 78.2 mt -76.94 101.39 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.726 0 N-CA-C 104.063 -2.569 . . . . 0.62 104.063 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.5 m -153.01 146.64 18.17 Favored Pre-proline 0 C--N 1.356 0.863 0 CA-C-N 121.023 1.738 . . . . 0.62 111.046 177.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.48 ' HA ' ' HG3' ' A' ' 52' ' ' LYS . 65.0 Cg_endo -68.09 -15.69 43.5 Favored 'Trans proline' 0 C--N 1.361 1.212 0 CA-C-N 122.185 1.816 . . . . 0.53000000000000003 112.17 -178.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.8 t -73.3 -44.61 58.75 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 119.658 1.117 . . . . 0.62 111.972 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.1 t -72.89 156.53 38.78 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.869 -1.062 . . . . 0.62 111.611 -175.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.16 148.56 44.06 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.317 0.962 . . . . 0.70999999999999996 108.462 174.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 10.8 m -107.94 28.24 8.44 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 118.197 0.453 . . . . 0.81999999999999995 110.38 176.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.6 p -68.46 -45.79 71.52 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 108.387 -0.968 . . . . 0.62 108.387 177.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.26 61.52 0.69 Allowed 'General case' 0 C--N 1.357 0.899 0 N-CA-C 106.832 -1.544 . . . . 0.62 106.832 176.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.1 p -62.41 152.34 7.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 CA-C-O 118.147 -0.93 . . . . 0.62 110.578 -177.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 . . . . . 0 C--O 1.262 1.751 0 N-CA-C 107.961 -1.126 . . . . 0.68000000000000005 107.961 178.262 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 117.608 -1.187 . . . . 0.62 109.835 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 29.0 mm -83.57 150.57 4.14 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 CA-C-N 119.791 1.178 . . . . 0.62 108.889 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.57 158.66 43.67 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 108.936 -0.764 . . . . 0.62 108.936 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.5 m -60.31 -35.01 74.6 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 119.226 -0.99 . . . . 0.81999999999999995 111.969 -176.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.47 -43.41 85.31 Favored Glycine 0 C--N 1.352 1.439 0 CA-C-N 120.377 1.444 . . . . 0.62 112.178 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -58.77 -36.55 74.57 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 118.178 0.989 . . . . 0.68000000000000005 109.569 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.6 t -72.87 -63.78 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.591 0 N-CA-C 109.831 -0.433 . . . . 0.62 109.831 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 m -46.8 -48.35 20.77 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 118.008 0.367 . . . . 0.62 111.027 -175.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.0 p -55.33 -55.59 29.8 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 118.383 -0.818 . . . . 0.62 112.195 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -63.53 -34.42 77.74 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 120.929 1.695 . . . . 0.68000000000000005 111.057 178.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.714 ' HG ' HD21 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -75.44 -0.32 19.67 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 116.812 -1.566 . . . . 0.62 111.78 177.69 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.69 -52.44 60.61 Favored Pre-proline 0 C--N 1.356 0.87 0 CA-C-N 123.154 2.706 . . . . 0.62 113.529 -174.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.23 -27.8 48.32 Favored 'Trans proline' 0 C--N 1.364 1.346 0 CA-C-N 123.196 2.177 . . . . 0.53000000000000003 110.654 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 83.8 m -65.35 -51.05 63.12 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 108.603 -0.888 . . . . 0.81999999999999995 108.603 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.5 mt -48.35 -42.2 30.76 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 120.035 -0.666 . . . . 0.62 110.606 176.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.63 -36.44 73.45 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 119.391 -0.924 . . . . 0.62 111.342 177.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -58.17 -36.92 73.75 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.545 1.066 . . . . 0.62 110.897 172.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.2 mt -60.89 -36.21 78.64 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 119.879 -0.728 . . . . 0.62 110.979 177.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -70.43 1.99 4.41 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 117.069 -1.443 . . . . 0.76000000000000001 113.284 174.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 48.81 40.87 17.26 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 122.354 2.343 . . . . 0.68000000000000005 109.307 -169.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.8 m -126.86 -60.5 1.22 Allowed 'General case' 0 C--N 1.358 0.97 0 CA-C-O 118.032 -0.985 . . . . 0.62 110.349 -178.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -96.46 145.39 17.81 Favored Glycine 0 C--N 1.356 1.683 0 CA-C-O 116.885 -2.064 . . . . 0.62 110.626 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -77.73 163.79 28.64 Favored 'Trans proline' 0 C--N 1.359 1.11 0 CA-C-N 122.621 3.21 . . . . 0.53000000000000003 111.986 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.9 mt -66.83 -42.1 86.35 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-N 119.068 0.849 . . . . 0.62 110.663 177.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.67 -103.24 0.59 Allowed Glycine 0 C--N 1.351 1.415 0 N-CA-C 109.151 -1.58 . . . . 0.62 109.151 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -122.38 33.0 5.58 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-N 119.31 1.555 . . . . 0.76000000000000001 109.59 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.4 t -62.75 -46.76 86.58 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 118.836 -1.146 . . . . 0.81999999999999995 108.202 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.8 m -48.7 -42.94 36.57 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 118.339 -0.839 . . . . 0.81999999999999995 111.235 -176.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.05 -48.24 87.07 Favored Glycine 0 C--N 1.352 1.445 0 C-N-CA 119.418 -1.373 . . . . 0.62 110.381 176.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.86 -36.44 93.39 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-N 118.607 1.203 . . . . 0.62 112.25 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.7 t -62.64 -55.11 25.83 Favored 'Isoleucine or valine' 0 C--N 1.355 0.815 0 N-CA-C 105.676 -1.972 . . . . 0.62 105.676 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -53.11 -42.53 66.08 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-O 118.886 -0.578 . . . . 0.62 112.126 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.44 -45.55 56.0 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 119.928 -0.709 . . . . 0.62 109.94 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.6 mt -70.25 -38.89 75.24 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.243 -0.884 . . . . 0.62 110.987 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.9 t -52.9 -43.02 45.42 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 CA-C-N 120.107 1.321 . . . . 0.62 109.221 -175.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -49.39 -49.45 44.64 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 119.854 -0.739 . . . . 0.68000000000000005 111.579 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.1 p -81.67 -48.64 11.45 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 118.609 -0.71 . . . . 0.62 109.42 -177.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.47 46.27 0.01 OUTLIER 'General case' 0 C--N 1.352 0.679 0 N-CA-C 115.931 1.826 . . . . 0.62 115.931 168.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.39 19.46 2.93 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-N 120.458 1.481 . . . . 0.76000000000000001 112.174 167.099 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.8 m -106.63 51.8 0.74 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-N 120.389 1.449 . . . . 0.62 109.797 -173.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 m 69.66 -67.74 0.22 Allowed 'General case' 0 C--N 1.353 0.725 0 N-CA-C 113.207 0.817 . . . . 0.62 113.207 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -78.8 -59.41 2.79 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 108.758 -0.83 . . . . 0.70999999999999996 108.758 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.47 -47.73 19.16 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 116.314 -0.403 . . . . 0.70999999999999996 110.203 -174.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -44.9 -51.43 9.69 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 114.61 1.337 . . . . 0.76000000000000001 114.61 172.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -66.41 -36.36 82.64 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 109.62 -0.511 . . . . 0.68000000000000005 109.62 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.9 mm -61.42 -51.83 68.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 107.577 -1.268 . . . . 0.62 107.577 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.13 -52.76 62.24 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-N 119.142 0.883 . . . . 0.62 110.447 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.587 ' SG ' ' CD1' ' A' ' 79' ' ' TYR . 42.6 m -50.93 -49.68 59.25 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 118.947 -1.101 . . . . 0.81999999999999995 110.985 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.9 m -60.7 -49.78 76.12 Favored 'General case' 0 C--N 1.351 0.633 0 N-CA-C 107.987 -1.116 . . . . 0.62 107.987 -173.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 88.9 m -60.31 -47.63 85.2 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-O 118.697 -0.668 . . . . 0.81999999999999995 111.952 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.714 HD21 ' HG ' ' A' ' 11' ' ' LEU . 11.4 mt -63.53 -46.3 86.62 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 118.578 0.626 . . . . 0.62 109.875 -176.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -46.62 -51.1 16.5 Favored 'General case' 0 C--N 1.346 0.437 0 C-N-CA 120.178 -0.609 . . . . 0.62 109.971 176.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.5 p -70.61 -37.42 73.85 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 118.054 -0.974 . . . . 0.62 111.797 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.4 81.5 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 120.598 1.545 . . . . 0.62 109.958 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.13 -49.07 68.76 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.824 -1.176 . . . . 0.62 107.824 176.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.57 73.95 0.23 Allowed Glycine 0 C--N 1.354 1.535 0 CA-C-N 119.646 1.112 . . . . 0.62 111.088 177.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -175.89 -52.35 0.01 OUTLIER 'General case' 0 C--N 1.355 0.814 0 CA-C-N 118.001 0.901 . . . . 0.62 109.679 -176.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.6 mm -42.96 134.13 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.866 0 CA-C-O 117.865 -1.064 . . . . 0.62 110.372 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.9 t -79.07 -52.99 7.45 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 120.426 1.466 . . . . 0.62 111.395 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.38 44.27 3.27 Favored Glycine 0 C--N 1.357 1.697 0 CA-C-N 119.921 1.237 . . . . 0.62 112.639 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.8 tt -76.98 137.33 22.69 Favored 'Isoleucine or valine' 0 C--N 1.352 0.692 0 CA-C-N 119.19 1.495 . . . . 0.62 110.665 -178.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -104.03 120.22 40.61 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 107.142 -1.429 . . . . 0.68000000000000005 107.142 170.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 tp -57.75 -44.91 86.43 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.949 1.25 . . . . 0.62 109.951 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.87 -40.83 65.86 Favored Glycine 0 C--N 1.354 1.563 0 C-N-CA 119.393 -1.384 . . . . 0.62 111.604 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -72.07 -40.64 68.14 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 118.581 1.19 . . . . 0.62 109.434 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.45 -48.87 78.02 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.244 0.929 . . . . 0.62 110.099 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.87 -22.28 61.54 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 119.377 0.99 . . . . 0.62 111.242 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -84.18 -15.96 68.21 Favored Glycine 0 C--N 1.357 1.737 0 CA-C-O 118.096 -1.391 . . . . 0.62 113.41 173.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.6 tp -58.02 -46.76 99.67 Favored Pre-proline 0 C--N 1.353 0.742 0 CA-C-N 120.792 2.296 . . . . 0.62 112.005 -176.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -60.14 -42.89 39.5 Favored 'Trans proline' 0 CA--C 1.502 -1.079 0 CA-C-N 122.474 1.919 . . . . 0.53000000000000003 111.691 173.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -60.2 -42.55 95.33 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 119.608 -0.837 . . . . 0.62 109.07 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.5 m -64.57 -50.18 68.26 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 107.068 -1.456 . . . . 0.62 107.068 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 82.4 m -89.49 66.07 7.24 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 107.973 -1.121 . . . . 0.81999999999999995 107.973 173.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.02 109.12 0.12 Allowed Glycine 0 C--N 1.352 1.467 0 CA-C-O 117.726 -1.597 . . . . 0.62 113.005 -177.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 13.0 m -145.36 157.22 13.29 Favored 'Isoleucine or valine' 0 C--N 1.356 0.89 0 CA-C-N 119.681 1.74 . . . . 0.62 110.927 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -82.31 64.69 7.09 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 118.355 0.525 . . . . 0.68000000000000005 111.707 -176.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 47.7 pt -102.63 133.65 20.35 Favored Pre-proline 0 C--N 1.356 0.868 0 CA-C-O 116.922 -1.513 . . . . 0.62 110.478 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -86.67 55.43 3.3 Favored 'Trans proline' 0 C--N 1.362 1.276 0 CA-C-N 123.28 2.207 . . . . 0.53000000000000003 112.025 177.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.587 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 18.4 p90 -175.52 146.55 0.79 Allowed 'General case' 0 C--N 1.354 0.77 0 CA-C-O 115.859 -2.019 . . . . 0.62 108.85 178.149 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -100.46 29.63 4.31 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-N 121.661 2.028 . . . . 0.62 112.912 -176.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.455 ' O ' HG22 ' A' ' 81' ' ' ILE . 17.3 mt 50.1 39.55 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.702 0 O-C-N 121.269 -0.894 . . . . 0.62 111.16 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 28.2 t -94.78 131.27 30.91 Favored Pre-proline 0 C--N 1.353 0.721 0 CA-C-O 115.823 -2.037 . . . . 0.62 108.821 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -51.25 -32.02 39.24 Favored 'Trans proline' 0 C--N 1.362 1.276 0 CA-C-N 123.744 2.373 . . . . 0.53000000000000003 114.018 175.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -85.19 -9.31 57.96 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.269 -1.348 . . . . 0.62 114.07 -176.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.5 m -81.17 118.16 22.32 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 121.321 1.873 . . . . 0.62 109.798 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -74.83 129.48 37.76 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 120.079 1.308 . . . . 0.70999999999999996 109.457 173.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 4.0 t -144.13 39.13 1.32 Allowed 'General case' 0 C--N 1.352 0.697 0 CA-C-N 119.129 0.877 . . . . 0.81999999999999995 109.599 172.247 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.1 m -103.52 0.65 31.26 Favored 'General case' 0 C--N 1.359 0.995 0 CA-C-O 116.703 -1.618 . . . . 0.62 112.828 175.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -128.85 38.24 3.97 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-N 120.996 1.726 . . . . 0.62 108.279 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.6 t -89.96 128.95 41.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 CA-C-O 118.607 -0.711 . . . . 0.62 109.497 -170.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 . . . . . 0 C--O 1.268 2.078 0 CA-C-O 118.293 -0.861 . . . . 0.68000000000000005 111.517 179.49 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 118.618 -0.706 . . . . 0.62 111.288 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.513 HD13 HG12 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -67.72 130.9 33.3 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 CA-C-O 117.913 -1.041 . . . . 0.62 109.96 -179.66 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.7 p -136.18 157.5 46.67 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 120.26 1.391 . . . . 0.62 111.484 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.4 t -64.53 -29.49 70.52 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 117.901 -1.047 . . . . 0.81999999999999995 111.843 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.35 -42.44 64.32 Favored Glycine 0 C--N 1.353 1.475 0 CA-C-N 119.505 1.048 . . . . 0.62 113.111 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -62.68 -46.28 88.9 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 118.389 1.095 . . . . 0.68000000000000005 109.876 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 66.0 t -65.8 -43.33 93.37 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 N-CA-C 107.608 -1.256 . . . . 0.62 107.608 -176.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.652 HG23 HD11 ' A' ' 15' ' ' LEU . 93.3 m -62.22 -47.2 85.49 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 108.004 -1.11 . . . . 0.62 108.004 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.1 t -56.67 -47.5 79.69 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 120.726 -0.39 . . . . 0.62 109.998 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -55.1 -42.81 73.38 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 120.248 -0.581 . . . . 0.68000000000000005 110.801 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 mp -96.79 24.67 5.87 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 118.531 -0.747 . . . . 0.62 112.93 -177.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.52 -51.9 77.53 Favored Pre-proline 0 C--N 1.353 0.752 0 CA-C-N 120.227 1.376 . . . . 0.62 112.241 -174.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.35 -30.95 36.03 Favored 'Trans proline' 0 C--N 1.362 1.281 0 CA-C-N 122.854 2.055 . . . . 0.53000000000000003 110.929 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.6 m -61.26 -39.59 90.9 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 119.696 -0.802 . . . . 0.81999999999999995 109.293 178.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.652 HD11 HG23 ' A' ' 8' ' ' THR . 77.9 mt -56.31 -44.4 79.87 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.788 1.176 . . . . 0.62 109.086 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.99 -47.17 81.38 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 120.02 -0.672 . . . . 0.62 109.293 176.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -50.53 -43.27 55.94 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 120.116 1.325 . . . . 0.62 111.279 176.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.1 mt -50.48 -39.33 47.85 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.939 -0.704 . . . . 0.62 111.046 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.0 ttt-85 -88.29 27.62 1.21 Allowed 'General case' 0 C--N 1.353 0.754 0 CA-C-O 118.466 -0.778 . . . . 0.76000000000000001 111.475 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 44.93 49.36 9.22 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-N 120.877 1.671 . . . . 0.68000000000000005 111.978 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -137.87 -53.7 0.65 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-O 118.158 -0.925 . . . . 0.62 112.859 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -99.97 145.39 17.35 Favored Glycine 0 C--N 1.356 1.644 0 CA-C-O 115.498 -2.834 . . . . 0.62 109.919 -176.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -71.66 -173.64 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.138 1 CA-C-N 125.122 4.461 . . . . 0.53000000000000003 112.219 177.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -78.48 -43.23 27.54 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 108.572 -0.899 . . . . 0.62 108.572 175.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.68 -128.56 45.19 Favored Glycine 0 C--N 1.353 1.505 0 CA-C-O 118.203 -1.332 . . . . 0.62 111.194 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -90.07 14.25 12.86 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 119.261 1.53 . . . . 0.76000000000000001 112.114 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.9 t -53.02 -43.24 66.37 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 120.306 1.412 . . . . 0.81999999999999995 109.689 174.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 82.6 m -52.31 -40.59 62.06 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.826 -0.749 . . . . 0.81999999999999995 112.779 -175.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.03 -39.8 96.18 Favored Glycine 0 C--N 1.35 1.349 0 C-N-CA 119.184 -1.484 . . . . 0.62 110.499 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.17 -36.46 91.85 Favored Glycine 0 C--N 1.349 1.265 0 C-N-CA 119.921 -1.133 . . . . 0.62 111.915 175.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.562 HG12 HG21 ' A' ' 75' ' ' VAL . 40.6 t -62.11 -44.25 98.78 Favored 'Isoleucine or valine' 0 C--N 1.352 0.679 0 N-CA-C 106.582 -1.636 . . . . 0.62 106.582 177.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -53.68 -45.33 70.29 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 118.524 -0.751 . . . . 0.62 110.309 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.17 -43.44 67.06 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 119.739 1.154 . . . . 0.62 110.083 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 mt -56.9 -33.77 67.23 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 118.665 -1.214 . . . . 0.62 112.631 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.4 t -54.71 -52.56 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.698 0 CA-C-N 120.723 1.601 . . . . 0.62 108.696 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -68.84 -39.4 79.98 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 119.542 -0.863 . . . . 0.68000000000000005 109.29 -177.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.8 t -65.56 -67.3 0.45 Allowed 'General case' 0 C--N 1.356 0.853 0 N-CA-C 106.812 -1.551 . . . . 0.62 106.812 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.39 -48.19 13.53 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 118.264 0.483 . . . . 0.62 110.704 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.7 -12.48 0.07 Allowed 'General case' 0 C--N 1.349 0.577 0 CA-C-O 116.777 -1.582 . . . . 0.76000000000000001 114.749 -177.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.1 m -88.07 39.21 0.89 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-N 121.362 1.892 . . . . 0.62 111.217 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.426 HG23 ' HA ' ' A' ' 91' ' ' GLN . 81.1 m 59.03 -80.59 0.02 OUTLIER 'General case' 0 C--N 1.356 0.852 0 CA-C-N 120.444 1.475 . . . . 0.62 114.911 172.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.15 -48.83 72.15 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 107.821 -1.177 . . . . 0.70999999999999996 107.821 -173.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.61 -37.97 8.92 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-O 118.827 -0.606 . . . . 0.70999999999999996 111.463 175.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.524 ' NH1' ' O ' ' A' ' 91' ' ' GLN . 4.4 ttp-105 -69.38 -40.83 77.18 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 119.483 1.038 . . . . 0.76000000000000001 112.681 177.148 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -56.11 -43.81 78.46 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 107.833 -1.173 . . . . 0.68000000000000005 107.833 176.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.513 HG12 HD13 ' A' ' 2' ' ' ILE . 1.4 mp -62.73 -50.55 79.29 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 CA-C-O 118.615 -0.707 . . . . 0.62 110.04 174.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.11 -50.89 68.08 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 119.915 1.234 . . . . 0.62 110.408 -176.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.9 m -57.52 -48.19 79.94 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 119.238 -0.985 . . . . 0.81999999999999995 109.738 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 46.9 m -60.28 -47.44 85.99 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 107.479 -1.304 . . . . 0.62 107.479 -174.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 44.7 t -60.08 -45.71 91.99 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 115.383 -0.826 . . . . 0.81999999999999995 111.728 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.7 mt -70.75 -45.94 63.89 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 109.366 -0.605 . . . . 0.62 109.366 -175.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -54.68 -42.73 71.75 Favored 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 120.756 -0.378 . . . . 0.62 110.149 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.2 m -67.73 -47.67 68.65 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 120.018 -0.673 . . . . 0.62 109.599 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.93 -63.58 1.1 Allowed 'General case' 0 C--N 1.353 0.728 0 N-CA-C 109.41 -0.589 . . . . 0.62 109.41 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.01 -41.38 78.42 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 120.456 -0.498 . . . . 0.62 109.796 -176.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.45 -35.6 73.0 Favored Glycine 0 C--N 1.353 1.513 0 C-N-CA 120.358 -0.925 . . . . 0.62 112.796 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.69 -33.88 74.72 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 119.099 1.449 . . . . 0.62 111.64 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 30.9 mm -69.43 125.31 27.18 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 N-CA-C 108.058 -1.09 . . . . 0.62 108.058 -175.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.4 m -75.56 -51.77 12.13 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-N 120.453 1.479 . . . . 0.62 111.177 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.59 50.71 4.29 Favored Glycine 0 C--N 1.354 1.549 0 CA-C-N 119.535 1.061 . . . . 0.62 110.656 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -85.15 136.32 23.02 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 CA-C-O 117.655 -1.164 . . . . 0.62 109.039 -174.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -104.92 118.98 37.89 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-N 119.831 1.196 . . . . 0.68000000000000005 109.001 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 66.2 tp -56.9 -44.67 82.57 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 118.508 0.595 . . . . 0.62 110.057 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.08 -38.03 65.14 Favored Glycine 0 C--N 1.354 1.541 0 C-N-CA 119.965 -1.112 . . . . 0.62 112.2 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -72.09 -47.3 52.37 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.038 1.419 . . . . 0.62 109.676 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.7 -53.88 17.06 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 119.804 1.184 . . . . 0.62 110.997 173.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.12 -20.04 63.2 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-O 118.434 -0.793 . . . . 0.62 113.054 175.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.2 -26.03 67.21 Favored Glycine 0 C--N 1.35 1.352 0 CA-C-N 120.485 1.493 . . . . 0.62 113.338 173.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.403 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 58.9 mt -51.36 -51.91 64.42 Favored Pre-proline 0 C--N 1.349 0.586 0 CA-C-N 120.42 2.11 . . . . 0.62 113.284 -178.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 37.1 Cg_endo -59.24 -23.43 69.57 Favored 'Trans proline' 0 C--N 1.366 1.453 0 CA-C-N 124.908 2.789 . . . . 0.53000000000000003 112.037 175.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.0 t -81.5 -54.7 5.22 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 120.199 1.363 . . . . 0.62 109.214 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.2 m -60.86 -47.69 85.22 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 109.762 -0.458 . . . . 0.62 109.762 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 82.3 m -93.9 74.57 4.19 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 106.287 -1.746 . . . . 0.81999999999999995 106.287 172.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -50.14 114.69 2.64 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-O 118.454 -1.192 . . . . 0.62 112.375 176.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.562 HG21 HG12 ' A' ' 31' ' ' VAL . 17.5 m -144.72 -151.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-O 116.784 -1.579 . . . . 0.62 106.917 178.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -131.32 51.63 2.13 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 122.294 2.316 . . . . 0.68000000000000005 110.301 176.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.2 pt -81.11 128.91 69.23 Favored Pre-proline 0 C--N 1.359 0.986 0 CA-C-O 114.596 -2.621 . . . . 0.62 107.586 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -71.38 38.5 0.34 Allowed 'Trans proline' 0 C--N 1.367 1.535 0 CA-C-N 126.85 3.482 . . . . 0.53000000000000003 116.252 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -163.44 163.76 24.77 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 120.98 1.718 . . . . 0.62 109.058 -177.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . 0.279 19.4 ptmt -108.11 17.49 22.25 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.289 0.993 . . . . 0.62 112.37 -178.192 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 6.6 mt 61.25 34.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 107.546 -1.279 . . . . 0.62 107.546 170.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.7 m -89.47 135.2 31.29 Favored Pre-proline 0 C--N 1.35 0.595 0 CA-C-O 115.286 -2.292 . . . . 0.62 109.291 -175.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -71.54 68.98 2.78 Favored 'Trans proline' 0 C--N 1.361 1.225 0 CA-C-N 122.989 2.103 . . . . 0.53000000000000003 112.48 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.9 m -169.37 -51.67 0.02 OUTLIER 'General case' 0 C--N 1.351 0.631 0 N-CA-C 108.481 -0.933 . . . . 0.62 108.481 -174.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.2 m -33.19 112.0 0.11 Allowed 'General case' 0 C--N 1.356 0.879 0 O-C-N 123.981 0.8 . . . . 0.62 111.649 172.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -89.8 132.08 35.42 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 107.304 -1.369 . . . . 0.70999999999999996 107.304 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 63.7 m -122.32 63.61 0.95 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.287 1.403 . . . . 0.81999999999999995 108.734 175.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.7 m -84.17 -41.63 16.83 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-O 118.471 -0.776 . . . . 0.62 109.893 173.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -121.64 64.76 0.9 Allowed 'General case' 0 C--N 1.359 1.007 0 N-CA-C 107.656 -1.239 . . . . 0.62 107.656 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.8 t -113.35 141.93 27.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-O 117.232 -1.366 . . . . 0.62 109.885 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.524 ' O ' ' NH1' ' A' ' 44' ' ' ARG . 69.1 mt-30 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 117.174 -1.394 . . . . 0.68000000000000005 109.533 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 120.555 0.217 . . . . 0.62 111.259 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -81.61 142.14 14.16 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.615 0 CA-C-O 119.037 -0.506 . . . . 0.62 110.116 -174.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 m -164.88 135.56 3.98 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 117.821 -1.085 . . . . 0.62 109.892 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 83.0 m -58.32 -33.73 69.82 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 121.19 1.814 . . . . 0.81999999999999995 110.076 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -41.49 -47.67 4.72 Favored Glycine 0 C--N 1.349 1.289 0 C-N-CA 120.362 -0.923 . . . . 0.62 113.487 169.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -61.51 -40.42 94.55 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 118.869 1.334 . . . . 0.68000000000000005 108.81 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.41 ' HA ' HD21 ' A' ' 34' ' ' LEU . 58.6 t -72.23 -55.43 13.3 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 N-CA-C 108.008 -1.108 . . . . 0.62 108.008 -168.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.8 t -54.41 -39.28 67.13 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 121.309 -0.87 . . . . 0.62 111.471 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.1 p -69.33 -49.11 58.68 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 119.167 0.894 . . . . 0.62 109.76 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -56.87 -37.24 71.06 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 120.042 1.292 . . . . 0.68000000000000005 111.112 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.57 HD11 HD23 ' A' ' 51' ' ' LEU . 97.5 mt -70.75 0.99 5.94 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 116.288 -1.815 . . . . 0.62 113.921 177.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.425 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -41.28 -53.03 7.13 Favored Pre-proline 0 C--N 1.356 0.869 0 CA-C-N 122.53 2.423 . . . . 0.62 113.887 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.425 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 9.8 Cg_exo -77.63 -22.83 10.25 Favored 'Trans proline' 0 C--N 1.356 0.951 0 CA-C-N 123.168 2.167 . . . . 0.53000000000000003 112.103 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.3 m -71.58 -55.77 7.16 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 107.747 -1.205 . . . . 0.81999999999999995 107.747 -177.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 pp -45.12 -38.61 5.25 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.762 -0.775 . . . . 0.62 111.403 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.98 -45.39 81.83 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.872 -0.731 . . . . 0.62 109.163 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -58.71 -46.19 87.88 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 120.593 0.235 . . . . 0.62 111.018 175.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.8 mt -60.68 -29.95 69.62 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 121.139 -0.976 . . . . 0.62 111.046 -177.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -72.3 4.08 4.05 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.282 -1.342 . . . . 0.76000000000000001 114.104 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 57.15 34.42 24.83 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 122.352 2.342 . . . . 0.68000000000000005 110.218 -172.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.7 m -127.71 -63.37 1.03 Allowed 'General case' 0 C--N 1.357 0.898 0 CA-C-O 118.432 -0.794 . . . . 0.62 110.498 -177.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.91 167.89 32.32 Favored Glycine 0 C--N 1.354 1.558 0 CA-C-O 117.311 -1.827 . . . . 0.62 111.043 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -88.82 -178.66 1.97 Allowed 'Trans proline' 0 C--N 1.358 1.03 0 CA-C-N 121.322 2.561 . . . . 0.53000000000000003 113.285 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -50.08 -51.72 40.44 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 112.191 0.441 . . . . 0.62 112.191 176.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.38 -130.66 51.32 Favored Glycine 0 C--N 1.348 1.242 0 CA-C-O 117.744 -1.587 . . . . 0.62 110.72 -177.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.2 mtm-85 -95.2 26.76 3.57 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 120.324 2.062 . . . . 0.76000000000000001 110.557 177.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 27.0 t -58.97 -48.2 82.39 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 119.572 1.078 . . . . 0.81999999999999995 108.459 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.1 t -59.95 -39.06 84.28 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 119.157 -1.017 . . . . 0.81999999999999995 110.869 -175.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.34 -46.2 94.38 Favored Glycine 0 C--N 1.353 1.483 0 N-CA-C 109.874 -1.291 . . . . 0.62 109.874 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.71 -50.55 64.47 Favored Glycine 0 C--N 1.351 1.414 0 C-N-CA 119.303 -1.427 . . . . 0.62 110.037 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.414 ' HA ' HD12 ' A' ' 34' ' ' LEU . 98.0 t -56.3 -51.22 66.17 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 N-CA-C 107.217 -1.401 . . . . 0.62 107.217 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -49.69 -46.19 49.75 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 119.154 0.888 . . . . 0.62 111.18 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.57 -37.66 65.76 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 120.088 -0.645 . . . . 0.62 110.764 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 31' ' ' VAL . 21.7 mt -72.05 -38.23 69.52 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 109.962 -0.384 . . . . 0.62 109.962 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.9 t -50.08 -48.0 23.79 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 N-CA-C 107.755 -1.202 . . . . 0.62 107.755 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -57.89 -40.94 81.48 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 118.406 -0.807 . . . . 0.68000000000000005 110.64 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.1 m -98.9 38.97 1.31 Allowed 'General case' 0 C--N 1.357 0.906 0 CA-C-N 118.71 0.686 . . . . 0.62 109.408 173.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -150.33 48.64 0.9 Allowed 'General case' 0 C--N 1.355 0.83 0 C-N-CA 119.841 -0.744 . . . . 0.62 109.884 175.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.85 -46.5 0.36 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-O 117.275 -1.345 . . . . 0.76000000000000001 112.298 179.031 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.8 p -60.88 72.4 0.01 OUTLIER 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.987 1.267 . . . . 0.62 111.794 172.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.0 m 46.6 -83.06 0.01 OUTLIER 'General case' 0 C--N 1.354 0.774 0 N-CA-C 116.346 1.98 . . . . 0.62 116.346 169.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -65.93 -46.2 79.09 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 120.791 1.632 . . . . 0.70999999999999996 106.633 -175.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -51.7 -50.64 60.11 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.248 -0.981 . . . . 0.70999999999999996 109.972 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -51.03 48.6 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 112.749 0.648 . . . . 0.76000000000000001 112.749 174.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -66.09 -42.67 89.01 Favored 'General case' 0 CA--C 1.513 -0.47 0 O-C-N 121.178 -0.951 . . . . 0.68000000000000005 111.295 -174.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.7 mm -66.15 -47.74 83.7 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 108.219 -1.03 . . . . 0.62 108.219 -177.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.0 -52.37 65.53 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.621 1.101 . . . . 0.62 108.337 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.415 ' C ' ' SG ' ' A' ' 87' ' ' CYS . 26.9 t -51.88 -41.24 61.75 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 118.926 -0.559 . . . . 0.81999999999999995 111.317 176.205 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 90.7 m -65.27 -45.56 84.01 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.463 1.029 . . . . 0.62 109.839 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.0 m -66.14 -39.89 90.18 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 121.057 -1.027 . . . . 0.81999999999999995 111.014 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.57 HD23 HD11 ' A' ' 11' ' ' LEU . 49.8 mt -60.9 -45.84 93.0 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 107.81 -1.181 . . . . 0.62 107.81 178.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -52.98 -43.99 66.83 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 109.666 -0.494 . . . . 0.62 109.666 175.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.2 m -66.51 -44.97 81.09 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-O 119.346 -0.359 . . . . 0.62 110.624 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.71 -50.03 69.3 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 109.017 -0.734 . . . . 0.62 109.017 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.3 -47.69 78.17 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 119.093 -1.043 . . . . 0.62 108.616 -177.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.72 -36.81 88.07 Favored Glycine 0 C--N 1.356 1.668 0 C-N-CA 120.171 -1.014 . . . . 0.62 112.822 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.81 -39.18 84.01 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.313 1.557 . . . . 0.62 112.464 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.2 mt -71.95 131.82 34.16 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 CA-C-O 118.452 -0.785 . . . . 0.62 110.3 -172.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 m -73.69 -54.57 7.8 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 120.015 1.28 . . . . 0.62 112.728 -175.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -89.34 41.35 3.02 Favored Glycine 0 C--N 1.356 1.662 0 CA-C-N 119.714 1.143 . . . . 0.62 112.004 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.41 122.25 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.745 0 CA-C-N 118.129 0.964 . . . . 0.62 110.533 -175.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -89.34 118.22 28.86 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 120.099 1.318 . . . . 0.68000000000000005 108.664 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.4 tt -55.25 -52.97 61.7 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 118.717 0.689 . . . . 0.62 109.455 -175.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.18 -39.47 81.21 Favored Glycine 0 C--N 1.351 1.39 0 C-N-CA 120.0 -1.095 . . . . 0.62 114.255 -175.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 69' ' ' LEU . 50.8 mttp -70.22 -47.05 63.16 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 119.023 1.412 . . . . 0.62 107.43 -179.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.34 -58.76 6.49 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 119.831 -0.748 . . . . 0.62 110.555 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.63 -39.7 71.17 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 118.416 0.553 . . . . 0.62 112.13 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -85.69 -3.59 85.98 Favored Glycine 0 C--N 1.352 1.46 0 CA-C-O 118.624 -1.098 . . . . 0.62 113.469 176.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.45 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 34.8 tp -50.16 -47.82 81.07 Favored Pre-proline 0 C--N 1.351 0.662 0 CA-C-N 120.042 1.921 . . . . 0.62 112.542 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 31.2 Cg_endo -59.46 -27.61 85.42 Favored 'Trans proline' 0 C--N 1.364 1.362 0 CA-C-N 124.214 2.541 . . . . 0.53000000000000003 112.61 177.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.3 m -70.71 -47.33 60.36 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 119.181 -1.008 . . . . 0.62 109.15 176.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.9 m -58.26 -49.22 77.89 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.847 -0.741 . . . . 0.62 109.391 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 40.1 t -100.6 79.32 2.08 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 106.737 -1.579 . . . . 0.81999999999999995 106.737 173.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -34.44 110.29 0.06 OUTLIER Glycine 0 C--N 1.353 1.479 0 CA-C-O 117.895 -1.503 . . . . 0.62 113.448 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.4 m -142.23 154.2 18.57 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 CA-C-N 119.478 1.639 . . . . 0.62 109.591 176.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -90.47 54.27 2.68 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.931 1.241 . . . . 0.68000000000000005 111.405 -175.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.494 HD12 ' CE1' ' A' ' 79' ' ' TYR . 31.0 pt -91.42 123.87 62.73 Favored Pre-proline 0 C--N 1.353 0.754 0 CA-C-O 115.502 -2.189 . . . . 0.62 107.275 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -90.34 61.13 1.66 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 CA-C-N 125.06 2.843 . . . . 0.53000000000000003 109.539 176.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.494 ' CE1' HD12 ' A' ' 77' ' ' ILE . 27.6 p90 -161.8 158.01 24.99 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 118.674 -0.679 . . . . 0.62 109.792 172.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -98.47 143.04 29.33 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 107.598 -1.26 . . . . 0.62 107.598 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 93.0 mt -85.15 74.84 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.721 0 N-CA-C 106.18 -1.785 . . . . 0.62 106.18 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.1 m -125.72 142.73 42.92 Favored Pre-proline 0 C--N 1.359 0.98 0 CA-C-O 115.566 -2.159 . . . . 0.62 110.936 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -73.7 67.55 4.69 Favored 'Trans proline' 0 C--N 1.361 1.212 0 CA-C-N 124.085 2.495 . . . . 0.53000000000000003 110.271 176.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.9 t -163.1 -59.74 0.04 OUTLIER 'General case' 0 C--N 1.355 0.804 0 CA-C-N 118.077 0.399 . . . . 0.62 110.678 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.9 t -44.72 145.57 0.89 Allowed 'General case' 0 C--N 1.356 0.863 0 CA-C-O 118.913 -0.565 . . . . 0.62 112.345 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -86.49 152.95 22.23 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 118.978 0.808 . . . . 0.70999999999999996 109.162 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.415 ' SG ' ' C ' ' A' ' 48' ' ' CYS . 61.4 m -117.76 -51.65 2.47 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 118.146 0.43 . . . . 0.81999999999999995 110.545 176.042 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 55.6 p -51.63 -30.7 22.49 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 120.805 -1.184 . . . . 0.62 113.774 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -93.91 38.14 1.08 Allowed 'General case' 0 C--N 1.355 0.805 0 CA-C-N 119.973 1.26 . . . . 0.62 111.87 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.2 t -81.71 132.8 30.65 Favored 'Isoleucine or valine' 0 C--N 1.348 0.522 0 C-N-CA 119.061 -1.056 . . . . 0.62 109.131 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 . . . . . 0 C--O 1.261 1.681 0 N-CA-C 107.886 -1.154 . . . . 0.68000000000000005 107.886 175.45 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.743 HD13 HG13 ' A' ' 46' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.065 -0.969 . . . . 0.62 108.502 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -155.33 142.68 19.47 Favored 'General case' 0 C--N 1.36 1.022 0 CA-C-N 120.325 1.42 . . . . 0.62 111.251 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.3 t -55.06 -35.83 64.95 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.399 1.454 . . . . 0.82 112.302 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -48.55 -43.88 28.71 Favored Glycine 0 C--N 1.353 1.48 0 CA-C-N 119.51 1.05 . . . . 0.62 113.315 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -70.12 -42.9 72.0 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 108.065 -1.087 . . . . 0.68 108.065 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 52.6 t -63.55 -48.72 85.59 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 C-N-CA 119.995 -0.682 . . . . 0.62 110.114 -175.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.3 t -63.06 -21.85 66.45 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 113.171 0.804 . . . . 0.62 113.171 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m -64.45 -49.51 71.16 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 119.503 1.047 . . . . 0.62 108.249 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -60.84 -30.34 70.05 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.582 -0.723 . . . . 0.68 112.184 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.672 HD11 HD23 ' A' ' 51' ' ' LEU . 59.7 mt -70.94 -4.71 26.01 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-O 115.735 -2.078 . . . . 0.62 112.899 178.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' LEU . . . -40.71 -49.5 7.32 Favored Pre-proline 0 C--N 1.356 0.851 0 CA-C-N 122.273 2.306 . . . . 0.62 112.857 -175.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -72.95 -30.42 11.06 Favored 'Trans proline' 0 C--N 1.36 1.145 0 CA-C-N 122.935 2.084 . . . . 0.53 112.074 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.6 m -66.6 -50.63 62.42 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 108.21 -1.033 . . . . 0.82 108.21 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.458 HD22 HD11 ' A' ' 58' ' ' ILE . 79.1 mt -42.39 -41.34 2.83 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 118.139 0.427 . . . . 0.62 110.303 -179.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.36 -47.35 64.6 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 121.503 -0.748 . . . . 0.62 110.413 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -58.07 -39.22 77.98 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 121.756 -0.59 . . . . 0.62 112.398 175.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.5 mt -56.94 -36.08 69.83 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 118.814 -0.613 . . . . 0.62 110.486 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -81.61 11.25 4.87 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 118.008 -0.996 . . . . 0.76 112.25 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.4 t30 49.56 49.26 20.25 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 120.969 1.713 . . . . 0.68 110.853 -175.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 t -140.9 -51.18 0.45 Allowed 'General case' 0 C--N 1.356 0.858 0 CA-C-O 117.302 -1.333 . . . . 0.62 113.605 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.94 157.31 19.2 Favored Glycine 0 C--N 1.357 1.709 0 CA-C-N 121.316 1.871 . . . . 0.62 108.869 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -71.18 165.5 32.21 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 CA-C-N 120.54 2.17 . . . . 0.53 112.632 -175.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.6 mp -62.15 -44.43 96.63 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.487 -0.768 . . . . 0.62 109.671 177.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 53.93 -119.96 13.21 Favored Glycine 0 C--N 1.35 1.351 0 CA-C-O 117.749 -1.584 . . . . 0.62 110.658 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -89.63 23.43 2.65 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.266 2.033 . . . . 0.76 112.451 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.8 t -60.61 -46.88 88.62 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 121.349 1.886 . . . . 0.82 108.799 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.0 m -60.73 -46.02 92.05 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 118.725 -1.19 . . . . 0.82 110.376 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.69 -44.55 96.82 Favored Glycine 0 C--N 1.351 1.412 0 C-N-CA 119.486 -1.34 . . . . 0.62 111.238 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.48 -51.99 55.51 Favored Glycine 0 C--N 1.35 1.355 0 C-N-CA 119.508 -1.33 . . . . 0.62 110.059 178.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.71 -48.48 88.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 C-N-CA 119.516 -0.874 . . . . 0.62 109.144 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -42.15 -45.8 4.15 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 118.565 0.621 . . . . 0.62 110.953 175.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.47 81.79 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 119.568 -0.853 . . . . 0.62 109.257 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.6 mt -55.16 -46.98 75.76 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-O 118.075 -0.964 . . . . 0.62 109.359 -177.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.7 t -39.61 -49.02 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.687 0 CA-C-N 118.474 0.579 . . . . 0.62 110.162 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -61.68 -42.64 99.19 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 118.88 0.764 . . . . 0.68 110.031 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.5 t -84.31 33.63 0.51 Allowed 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.821 -0.609 . . . . 0.62 110.535 169.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.13 33.16 1.1 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-N 119.302 0.956 . . . . 0.62 112.021 174.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.2 mmm-85 -129.58 -14.91 4.08 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 116.278 -1.82 . . . . 0.76 115.395 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -77.85 47.31 0.62 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-N 122.978 2.627 . . . . 0.62 111.172 176.488 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 62.5 m 62.84 -62.3 0.12 Allowed 'General case' 0 C--N 1.357 0.916 0 N-CA-C 115.329 1.603 . . . . 0.62 115.329 174.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' THR . 53.9 mt-10 -84.52 -50.91 7.3 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 119.86 1.209 . . . . 0.71 108.949 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -42.42 -49.04 5.27 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.746 1.157 . . . . 0.71 109.897 173.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -49.27 -54.56 16.27 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 113.233 0.827 . . . . 0.76 113.233 171.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -58.77 -42.92 90.11 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 119.643 -0.823 . . . . 0.68 109.825 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.743 HG13 HD13 ' A' ' 2' ' ' ILE . 44.3 mm -58.25 -48.99 83.3 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 C-N-CA 119.27 -0.972 . . . . 0.62 109.795 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.96 -50.9 71.8 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 119.316 -0.954 . . . . 0.62 110.019 177.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 82.7 m -50.06 -54.55 19.62 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 120.252 1.387 . . . . 0.82 110.35 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.4 t -62.61 -39.89 95.21 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 119.654 -0.819 . . . . 0.62 110.057 -175.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 41.3 t -62.22 -42.78 99.62 Favored 'General case' 0 CA--C 1.504 -0.805 0 C-N-CA 119.347 -0.941 . . . . 0.82 110.374 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.672 HD23 HD11 ' A' ' 11' ' ' LEU . 11.9 mt -67.35 -50.29 60.49 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 119.22 -0.992 . . . . 0.62 109.062 -177.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -47.1 -46.38 22.79 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 109.059 -0.719 . . . . 0.62 109.059 175.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.0 m -63.21 -44.49 95.18 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 119.688 -0.805 . . . . 0.62 109.379 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.97 -53.84 50.51 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.895 0.771 . . . . 0.62 109.309 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.09 -52.13 53.3 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.999 -0.68 . . . . 0.62 109.902 177.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.07 -32.57 59.85 Favored Glycine 0 C--N 1.353 1.484 0 C-N-CA 119.777 -1.202 . . . . 0.62 112.666 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.25 -37.79 84.1 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 119.144 1.472 . . . . 0.62 111.168 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.458 HD11 HD22 ' A' ' 15' ' ' LEU . 16.9 mm -63.56 139.46 21.26 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 118.718 0.69 . . . . 0.62 111.024 -175.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.8 p -74.79 -74.55 0.19 Allowed 'General case' 0 C--N 1.36 1.03 0 CA-C-N 119.149 0.886 . . . . 0.62 111.759 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.24 51.95 3.98 Favored Glycine 0 C--N 1.353 1.493 0 CA-C-N 119.828 1.195 . . . . 0.62 111.914 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.29 131.85 33.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.625 0 CA-C-O 118.059 -0.972 . . . . 0.62 112.391 -171.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -93.63 109.16 20.8 Favored 'General case' 0 C--N 1.358 0.948 0 N-CA-C 107.73 -1.211 . . . . 0.68 107.73 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.33 -42.36 99.32 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 119.011 0.823 . . . . 0.62 110.365 -173.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.42 -44.9 96.28 Favored Glycine 0 C--N 1.351 1.387 0 C-N-CA 119.783 -1.198 . . . . 0.62 111.816 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 69' ' ' LEU . 65.3 mttm -68.48 -39.92 81.16 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 119.31 1.555 . . . . 0.62 109.547 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.38 -56.62 18.06 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 119.31 0.959 . . . . 0.62 109.735 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.32 -34.8 75.85 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.997 -1.064 . . . . 0.62 110.63 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -89.04 -0.9 80.3 Favored Glycine 0 C--N 1.356 1.693 0 CA-C-O 118.257 -1.301 . . . . 0.62 114.566 177.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' LYS . 10.4 tp -48.95 -54.88 23.84 Favored Pre-proline 0 C--N 1.352 0.704 0 CA-C-N 120.774 2.287 . . . . 0.62 111.9 174.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.545 ' HB3' HD11 ' A' ' 77' ' ' ILE . 56.1 Cg_endo -65.02 -29.46 57.06 Favored 'Trans proline' 0 C--N 1.358 1.067 0 CA-C-N 123.934 2.441 . . . . 0.53 109.041 -175.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.3 t -65.19 -39.65 93.13 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.648 1.113 . . . . 0.62 108.684 176.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 50.4 m -69.4 -49.85 51.45 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 108.42 -0.956 . . . . 0.62 108.42 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 74' ' ' GLY . 97.5 m -90.54 70.19 6.84 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-O 116.746 -1.597 . . . . 0.82 107.822 172.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 73' ' ' CYS . . . -29.01 110.45 0.03 OUTLIER Glycine 0 C--N 1.349 1.258 0 CA-C-N 120.587 1.54 . . . . 0.62 114.64 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -143.25 152.7 16.7 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 CA-C-N 119.527 1.663 . . . . 0.62 109.625 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -89.22 63.46 6.55 Favored 'General case' 0 C--N 1.36 1.055 0 CA-C-O 117.87 -1.062 . . . . 0.68 111.404 -175.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.545 HD11 ' HB3' ' A' ' 70' ' ' PRO . 22.2 pt -102.67 126.77 31.87 Favored Pre-proline 0 C--N 1.352 0.703 0 CA-C-O 116.727 -1.606 . . . . 0.62 109.118 175.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -87.99 58.99 3.03 Favored 'Trans proline' 0 C--N 1.359 1.081 0 CA-C-N 123.562 2.308 . . . . 0.53 111.219 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.454 ' CE2' ' HB ' ' A' ' 77' ' ' ILE . 51.2 p90 -169.07 151.91 4.93 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 117.354 -1.307 . . . . 0.62 107.588 172.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -95.35 148.81 22.04 Favored 'General case' 0 C--N 1.35 0.619 0 N-CA-C 107.537 -1.282 . . . . 0.62 107.537 -175.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.402 HG23 ' HB3' ' A' ' 51' ' ' LEU . 27.0 mt -90.45 83.84 2.15 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 N-CA-C 107.113 -1.44 . . . . 0.62 107.113 -171.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.3 p -150.4 144.84 17.83 Favored Pre-proline 0 C--N 1.357 0.896 0 CA-C-O 116.916 -1.516 . . . . 0.62 111.808 -174.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -80.13 71.37 7.09 Favored 'Trans proline' 0 C--N 1.358 1.056 0 CA-C-N 122.091 1.783 . . . . 0.53 110.593 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.1 m -159.28 -58.65 0.07 Allowed 'General case' 0 C--N 1.353 0.718 0 N-CA-C 109.191 -0.67 . . . . 0.62 109.191 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.5 t -52.37 136.4 31.35 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 118.582 -0.723 . . . . 0.62 111.712 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -82.07 147.2 29.24 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 107.16 -1.422 . . . . 0.71 107.16 171.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 C--N 1.354 0.802 0 CA-C-O 116.974 -1.489 . . . . 0.82 113.516 170.394 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.526 HD13 HG13 ' A' ' 46' ' ' ILE . 0.6 OUTLIER . . . . . 0 CA--C 1.511 -0.547 0 N-CA-C 109.131 -0.692 . . . . 0.62 109.131 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 m -162.83 141.99 8.84 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 119.621 1.1 . . . . 0.62 111.095 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 59.2 m -57.02 -31.58 65.28 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 121.591 1.996 . . . . 0.82 113.767 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.99 -48.73 61.69 Favored Glycine 0 C--N 1.347 1.155 0 CA-C-N 120.536 1.516 . . . . 0.62 112.363 177.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.37 -29.96 71.02 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 118.532 1.166 . . . . 0.68 110.415 -178.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.8 t -70.27 -50.1 49.29 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 108.791 -0.818 . . . . 0.62 108.791 178.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.8 m -59.5 -45.28 92.14 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 119.925 -0.71 . . . . 0.62 110.753 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.4 p -62.85 -46.43 87.95 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 119.737 -0.785 . . . . 0.62 109.572 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -56.11 -41.77 75.8 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 119.346 -0.941 . . . . 0.68 111.062 176.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.5 mp -89.39 25.2 2.0 Allowed 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.362 -0.828 . . . . 0.62 112.629 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.46 -53.05 68.38 Favored Pre-proline 0 C--N 1.356 0.883 0 CA-C-O 116.688 -1.625 . . . . 0.62 111.492 -178.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -70.15 -29.63 21.74 Favored 'Trans proline' 0 C--N 1.358 1.061 0 CA-C-N 123.626 2.331 . . . . 0.53 110.956 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.0 m -61.54 -29.15 69.82 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 117.928 -1.034 . . . . 0.82 109.444 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -54.43 -40.25 68.13 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 120.954 1.706 . . . . 0.62 111.285 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.57 -33.13 60.6 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 119.925 -0.71 . . . . 0.62 110.804 177.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -65.66 -35.54 81.06 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 120.531 -0.467 . . . . 0.62 110.65 174.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.428 HD21 HD11 ' A' ' 69' ' ' LEU . 27.9 mt -57.94 -38.62 76.3 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-N 118.889 0.768 . . . . 0.62 111.039 176.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -68.28 -1.99 7.37 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-O 118.241 -0.885 . . . . 0.76 113.377 172.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 61.0 t30 53.41 44.77 29.56 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 121.081 1.764 . . . . 0.68 110.718 -176.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 t -140.78 -47.51 0.41 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-O 117.402 -1.285 . . . . 0.62 112.646 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.08 154.21 19.49 Favored Glycine 0 C--N 1.36 1.879 0 CA-C-N 121.415 1.916 . . . . 0.62 110.299 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -75.38 142.34 26.63 Favored 'Trans proline' 0 C--N 1.356 0.95 0 CA-C-N 121.329 2.565 . . . . 0.53 113.426 -177.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -69.56 -30.53 68.36 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 113.051 0.76 . . . . 0.62 113.051 172.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.47 -120.73 21.37 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-O 118.116 -1.38 . . . . 0.62 112.14 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -95.32 20.27 9.56 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-N 120.025 1.913 . . . . 0.76 111.096 -175.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.4 t -53.76 -32.95 54.2 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.925 1.239 . . . . 0.82 111.168 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 71.7 m -49.62 -38.88 33.81 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.076 -0.964 . . . . 0.82 110.637 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.3 -44.54 89.47 Favored Glycine 0 C--N 1.351 1.371 0 C-N-CA 119.172 -1.49 . . . . 0.62 110.791 176.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.11 -43.85 96.62 Favored Glycine 0 C--N 1.35 1.35 0 C-N-CA 119.61 -1.281 . . . . 0.62 111.363 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.54 -52.07 64.05 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 106.574 -1.639 . . . . 0.62 106.574 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -52.25 -43.3 64.28 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 119.149 -0.453 . . . . 0.62 110.701 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.55 -46.51 77.14 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 120.084 -0.647 . . . . 0.62 109.736 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' SER . 91.3 mt -60.01 -41.33 91.92 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 118.625 -0.702 . . . . 0.62 110.09 -177.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.43 HG22 HG23 ' A' ' 77' ' ' ILE . 60.3 t -46.98 -44.92 7.78 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.698 0 CA-C-N 118.646 0.657 . . . . 0.62 110.452 -175.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -53.13 -42.23 65.83 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 119.943 -0.703 . . . . 0.68 109.399 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' LEU . 5.1 m -105.15 50.18 0.79 Allowed 'General case' 0 C--N 1.353 0.737 0 O-C-N 123.542 0.526 . . . . 0.62 110.391 172.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.92 38.82 0.6 Allowed 'General case' 0 C--N 1.353 0.74 0 C-N-CA 121.187 -0.205 . . . . 0.62 111.205 170.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.0 mmm-85 -139.38 9.37 2.48 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 114.892 1.441 . . . . 0.76 114.892 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.8 m -107.58 45.31 1.01 Allowed 'General case' 0 C--N 1.356 0.889 0 CA-C-N 120.972 1.715 . . . . 0.62 108.206 177.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.6 m 66.8 -68.34 0.14 Allowed 'General case' 0 C--N 1.353 0.748 0 N-CA-C 113.485 0.92 . . . . 0.62 113.485 176.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -69.56 -55.65 9.53 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 120.088 1.313 . . . . 0.71 108.853 -174.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -54.0 -42.08 68.67 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 119.799 -0.76 . . . . 0.71 111.402 177.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.5 ttp85 -54.51 -48.82 71.44 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 118.184 -1.406 . . . . 0.76 111.899 172.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -60.61 -47.66 85.25 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 120.053 -0.659 . . . . 0.68 112.349 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.526 HG13 HD13 ' A' ' 2' ' ' ILE . 25.7 mm -58.49 -45.71 89.98 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 N-CA-C 108.262 -1.014 . . . . 0.62 108.262 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.87 -50.02 70.47 Favored 'General case' 0 CA--C 1.509 -0.6 0 C-N-CA 118.903 -1.119 . . . . 0.62 109.663 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.6 t -48.52 -47.75 38.81 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 118.732 0.696 . . . . 0.82 111.329 174.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.3 m -68.39 -48.53 64.45 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 108.639 -0.874 . . . . 0.62 108.639 -173.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 98.0 m -59.52 -43.52 93.4 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 120.436 -0.505 . . . . 0.82 111.049 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.576 ' HB3' HG23 ' A' ' 81' ' ' ILE . 44.7 mt -63.14 -49.51 74.08 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 119.518 -0.873 . . . . 0.62 108.723 178.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.458 ' HG3' ' HA ' ' A' ' 83' ' ' PRO . 50.8 tttm -48.57 -47.15 39.75 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 109.496 -0.557 . . . . 0.62 109.496 178.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.1 p -72.58 -36.15 68.09 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-O 117.329 -1.32 . . . . 0.62 112.198 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.55 -51.12 63.91 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 121.346 1.885 . . . . 0.62 109.777 175.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.01 -40.01 65.55 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 119.476 -0.89 . . . . 0.62 109.744 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.7 75.07 1.7 Allowed Glycine 0 C--N 1.355 1.613 0 CA-C-O 118.532 -1.149 . . . . 0.62 110.408 -178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 179.8 -49.52 0.01 OUTLIER 'General case' 0 C--N 1.352 0.681 0 CA-C-N 117.687 0.743 . . . . 0.62 110.674 -174.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 58' ' ' ILE . 86.6 mt -53.54 141.24 8.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 CA-C-O 117.661 -1.161 . . . . 0.62 108.607 178.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.8 t -72.35 -53.28 12.8 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-N 120.994 1.725 . . . . 0.62 112.405 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.66 33.52 3.92 Favored Glycine 0 C--N 1.354 1.546 0 O-C-N 120.934 -1.104 . . . . 0.62 114.488 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.535 HD11 ' HB2' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -64.62 132.25 30.44 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.654 0 CA-C-N 120.28 2.04 . . . . 0.62 111.194 -179.489 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -97.61 107.94 20.55 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 119.998 1.272 . . . . 0.68 109.149 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.4 tp -47.65 -45.97 28.47 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 112.64 0.607 . . . . 0.62 112.64 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.01 -35.48 64.24 Favored Glycine 0 C--N 1.351 1.382 0 C-N-CA 119.69 -1.243 . . . . 0.62 112.247 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -69.46 -50.75 42.51 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.162 1.481 . . . . 0.62 108.611 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.535 ' HB2' HD11 ' A' ' 61' ' ' ILE . . . -48.79 -55.05 12.67 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 119.647 -0.821 . . . . 0.62 109.916 176.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.6 -31.91 69.92 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 117.791 -1.1 . . . . 0.62 112.883 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -86.59 7.23 80.23 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-O 117.597 -1.668 . . . . 0.62 115.083 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.428 HD11 HD21 ' A' ' 18' ' ' LEU . 85.6 mt -66.06 -41.6 45.68 Favored Pre-proline 0 C--N 1.353 0.723 0 CA-C-N 122.335 3.068 . . . . 0.62 112.632 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -61.82 -31.76 85.46 Favored 'Trans proline' 0 C--N 1.361 1.185 0 CA-C-N 124.997 2.82 . . . . 0.53 108.863 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.4 t -64.82 -51.85 59.94 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 119.065 -1.054 . . . . 0.62 109.007 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.6 m -64.83 -38.14 89.97 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 119.886 -0.725 . . . . 0.62 111.119 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 75' ' ' VAL . 69.9 m -108.78 80.42 1.33 Allowed 'General case' 0 C--N 1.349 0.556 0 N-CA-C 108.471 -0.937 . . . . 0.82 108.471 172.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.34 77.49 0.01 OUTLIER Glycine 0 C--N 1.355 1.616 0 CA-C-O 119.299 -0.723 . . . . 0.62 112.276 177.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' CYS . 21.9 m -105.42 -159.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 107.337 -1.357 . . . . 0.62 107.337 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -112.35 67.1 0.65 Allowed 'General case' 0 C--N 1.356 0.885 0 CA-C-N 121.062 1.756 . . . . 0.68 110.68 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.43 HG23 HG22 ' A' ' 35' ' ' VAL . 6.4 pt -112.08 132.02 22.23 Favored Pre-proline 0 C--N 1.358 0.961 0 CA-C-O 116.547 -1.692 . . . . 0.62 109.267 176.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -77.38 -36.38 1.32 Allowed 'Trans proline' 0 C--N 1.362 1.254 0 CA-C-N 122.945 2.087 . . . . 0.53 111.666 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -71.87 158.23 36.44 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 108.685 -0.857 . . . . 0.62 108.685 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -106.06 34.22 3.44 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 120.649 -0.42 . . . . 0.62 110.72 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.576 HG23 ' HB3' ' A' ' 51' ' ' LEU . 1.5 mt 47.14 40.35 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.627 0 CA-C-O 118.833 -0.603 . . . . 0.62 111.861 174.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.8 m -98.25 141.2 22.56 Favored Pre-proline 0 C--N 1.35 0.591 0 CA-C-O 116.236 -1.84 . . . . 0.62 111.025 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.458 ' HA ' ' HG3' ' A' ' 52' ' ' LYS . 88.8 Cg_endo -72.22 67.68 3.41 Favored 'Trans proline' 0 C--N 1.363 1.296 0 CA-C-N 122.8 2.036 . . . . 0.53 111.161 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -165.42 -53.43 0.03 OUTLIER 'General case' 0 C--N 1.352 0.685 0 CA-C-O 119.296 -0.383 . . . . 0.62 110.208 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.5 t -37.52 105.36 0.04 OUTLIER 'General case' 0 C--N 1.354 0.793 0 N-CA-C 114.416 1.265 . . . . 0.62 114.416 176.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -63.49 144.89 56.61 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 120.757 1.617 . . . . 0.71 110.268 175.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 C--N 1.358 0.977 0 CA-C-N 119.357 0.981 . . . . 0.82 112.492 174.131 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 pp . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 113.796 1.036 . . . . 0.62 113.796 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -100.34 167.37 10.45 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 118.043 0.383 . . . . 0.62 111.027 -176.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.9 m -59.77 -38.4 81.74 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 112.668 0.618 . . . . 0.82 112.668 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -49.47 -47.39 36.11 Favored Glycine 0 C--N 1.35 1.337 0 C-N-CA 119.572 -1.299 . . . . 0.62 112.817 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -64.09 -43.46 95.33 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 117.981 0.891 . . . . 0.68 109.803 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.1 t -57.83 -57.61 9.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 107.095 -1.446 . . . . 0.62 107.095 -175.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.4 m -58.13 -47.02 84.59 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 123.688 0.617 . . . . 0.62 110.791 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.8 m -58.47 -50.9 72.07 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 120.082 -0.647 . . . . 0.62 109.607 -174.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -52.06 -45.61 64.81 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 119.649 -0.82 . . . . 0.68 111.594 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.319 4.3 pp -94.31 28.53 2.5 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 112.677 0.621 . . . . 0.62 112.677 -177.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.52 -47.13 98.66 Favored Pre-proline 0 C--N 1.353 0.735 0 CA-C-O 116.422 -1.751 . . . . 0.62 112.384 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -66.13 -28.01 48.89 Favored 'Trans proline' 0 C--N 1.359 1.126 0 CA-C-N 123.932 2.44 . . . . 0.53 110.417 -177.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.6 m -60.56 -35.02 75.05 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 118.879 -1.129 . . . . 0.82 109.766 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.463 HD22 HD11 ' A' ' 58' ' ' ILE . 47.9 mt -53.87 -48.53 69.94 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 120.515 1.507 . . . . 0.62 107.87 -177.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.78 84.63 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 120.631 -0.428 . . . . 0.62 110.818 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -60.67 -40.48 92.26 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.966 -1.016 . . . . 0.62 111.679 174.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.8 mt -66.05 -40.99 91.4 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.6 1.545 . . . . 0.62 110.432 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -56.62 -26.12 55.0 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 117.942 -1.028 . . . . 0.76 110.956 173.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 83.31 59.15 0.01 OUTLIER 'General case' 0 C--N 1.355 0.841 0 CA-C-N 119.727 1.149 . . . . 0.68 108.512 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.1 p -148.34 -67.9 0.23 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 109.718 -0.475 . . . . 0.62 109.718 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -91.22 142.09 15.96 Favored Glycine 0 C--N 1.355 1.625 0 CA-C-O 116.397 -2.335 . . . . 0.62 110.069 -176.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -71.74 -168.57 0.37 Allowed 'Trans proline' 0 C--N 1.356 0.94 0 CA-C-N 122.635 3.217 . . . . 0.53 112.837 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.86 -36.88 70.26 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.599 -0.889 . . . . 0.62 108.599 -178.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.92 -124.93 37.27 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-O 117.61 -1.661 . . . . 0.62 110.13 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -99.05 25.49 6.7 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 119.68 1.74 . . . . 0.76 110.39 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.5 t -60.59 -48.15 83.04 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-N 119.643 1.11 . . . . 0.82 108.94 176.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.1 m -51.37 -41.6 60.77 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.895 -1.05 . . . . 0.82 112.877 -175.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.49 -51.87 56.21 Favored Glycine 0 C--N 1.351 1.412 0 C-N-CA 119.103 -1.522 . . . . 0.62 110.07 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.87 -39.77 95.91 Favored Glycine 0 C--N 1.352 1.457 0 C-N-CA 119.885 -1.15 . . . . 0.62 111.88 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.55 -60.07 3.33 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 N-CA-C 105.902 -1.888 . . . . 0.62 105.902 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -46.36 -38.62 9.1 Favored 'General case' 0 C--O 1.224 -0.289 0 O-C-N 119.854 -1.779 . . . . 0.62 111.549 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.71 -48.94 70.29 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.439 1.018 . . . . 0.62 112.222 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 pp -60.6 -31.69 70.85 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 120.634 1.561 . . . . 0.62 108.906 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.23 -44.98 96.68 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 CA-C-N 119.395 0.998 . . . . 0.62 111.099 -175.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -53.86 -45.31 70.95 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 108.266 -1.012 . . . . 0.68 108.266 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.9 m -89.52 59.64 4.84 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 108.856 -0.794 . . . . 0.62 108.856 172.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.93 -57.4 0.1 Allowed 'General case' 0 C--N 1.349 0.572 0 N-CA-C 106.729 -1.582 . . . . 0.62 106.729 177.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.6 mmm-85 -66.94 66.69 0.06 Allowed 'General case' 0 C--N 1.355 0.818 0 CA-C-N 119.192 0.905 . . . . 0.76 112.984 177.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.9 m -140.32 40.99 1.92 Allowed 'General case' 0 C--N 1.351 0.662 0 N-CA-C 106.391 -1.707 . . . . 0.62 106.391 169.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.2 m 62.99 -66.26 0.09 Allowed 'General case' 0 C--N 1.355 0.844 0 N-CA-C 113.746 1.017 . . . . 0.62 113.746 -175.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -78.18 -49.77 13.19 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 119.691 1.132 . . . . 0.71 110.238 -171.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -52.12 -50.55 61.46 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 119.396 -0.922 . . . . 0.71 109.888 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . 0.273 0.0 OUTLIER -61.13 -33.86 74.07 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 118.161 -0.923 . . . . 0.76 111.876 176.387 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -61.62 -42.66 99.19 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 121.455 1.934 . . . . 0.68 109.033 177.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.5 mm -71.37 -46.08 66.31 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 N-CA-C 108.199 -1.037 . . . . 0.62 108.199 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.18 -52.06 47.82 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 119.059 0.845 . . . . 0.62 109.144 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.1 t -47.71 -47.94 29.76 Favored 'General case' 0 C--N 1.346 0.452 0 N-CA-C 112.85 0.685 . . . . 0.82 112.85 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.9 m -69.16 -47.38 65.13 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 108.392 -0.966 . . . . 0.62 108.392 -177.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.6 m -52.6 -41.5 63.71 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 119.836 -0.745 . . . . 0.82 110.62 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.85 -46.67 71.12 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 120.257 -0.577 . . . . 0.62 109.954 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -51.8 -42.98 62.89 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 119.22 -0.992 . . . . 0.62 108.534 175.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.3 m -65.75 -45.16 83.6 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 118.8 -0.619 . . . . 0.62 111.497 176.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.64 -46.01 91.91 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.358 0.981 . . . . 0.62 109.754 -177.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.41 -44.83 77.85 Favored 'General case' 0 C--N 1.351 0.674 0 N-CA-C 109.045 -0.724 . . . . 0.62 109.045 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.24 69.13 1.98 Allowed Glycine 0 C--N 1.353 1.486 0 N-CA-C 110.006 -1.238 . . . . 0.62 110.006 175.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -172.52 -53.85 0.02 OUTLIER 'General case' 0 C--N 1.354 0.783 0 CA-C-N 117.94 0.87 . . . . 0.62 110.596 -178.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.463 HD11 HD22 ' A' ' 15' ' ' LEU . 22.3 mm -47.34 126.4 2.33 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-O 117.969 -1.015 . . . . 0.62 109.004 177.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.7 t -70.5 -44.51 67.48 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 121.07 1.759 . . . . 0.62 114.327 -175.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -102.92 53.56 0.75 Allowed Glycine 0 C--N 1.352 1.453 0 N-CA-C 107.477 -2.249 . . . . 0.62 107.477 -174.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.3 tt -77.08 143.28 13.13 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 CA-C-O 117.741 -1.123 . . . . 0.62 112.264 -170.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -100.37 116.09 31.52 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 107.717 -1.216 . . . . 0.68 107.717 172.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.3 tp -57.1 -47.13 81.82 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 118.983 0.81 . . . . 0.62 111.671 -175.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.08 -39.2 94.06 Favored Glycine 0 C--N 1.353 1.491 0 C-N-CA 119.577 -1.297 . . . . 0.62 111.323 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -69.23 -43.31 74.3 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.379 1.589 . . . . 0.62 109.522 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.51 -56.07 13.23 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 119.772 1.169 . . . . 0.62 109.157 173.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.93 -7.63 55.03 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 114.945 1.461 . . . . 0.62 114.945 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.59 -3.32 71.64 Favored Glycine 0 C--N 1.353 1.487 0 CA-C-O 117.462 -1.744 . . . . 0.62 113.423 173.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 96.6 mt -60.02 -42.45 90.33 Favored Pre-proline 0 C--N 1.354 0.764 0 CA-C-N 121.656 2.728 . . . . 0.62 113.26 179.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 38.1 Cg_exo -57.59 -49.68 12.78 Favored 'Trans proline' 0 C--N 1.357 0.992 0 CA-C-N 123.636 2.334 . . . . 0.53 110.24 178.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.1 m -64.86 -43.69 92.14 Favored 'General case' 0 CA--C 1.506 -0.746 0 O-C-N 123.899 0.749 . . . . 0.62 109.679 -175.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.0 m -62.35 -52.22 64.49 Favored 'General case' 0 C--N 1.349 0.578 0 N-CA-C 108.339 -0.986 . . . . 0.62 108.339 -176.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 80.7 m -98.83 69.67 1.82 Allowed 'General case' 0 C--N 1.353 0.745 0 N-CA-C 106.536 -1.653 . . . . 0.82 106.536 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -27.06 101.31 0.01 OUTLIER Glycine 0 C--N 1.352 1.469 0 CA-C-O 117.637 -1.646 . . . . 0.62 115.542 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.9 m -139.69 154.85 24.58 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 CA-C-N 119.778 1.789 . . . . 0.62 110.388 177.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -88.71 65.33 7.68 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.296 0.953 . . . . 0.68 111.36 -173.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 16.1 pt -101.55 134.4 20.26 Favored Pre-proline 0 C--N 1.355 0.824 0 CA-C-O 115.316 -2.278 . . . . 0.62 110.693 -177.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -66.8 -49.52 1.51 Allowed 'Trans proline' 0 C--N 1.363 1.314 0 CA-C-N 125.054 2.841 . . . . 0.53 110.584 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -63.61 153.99 34.18 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.116 -1.421 . . . . 0.62 109.833 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -107.52 27.64 8.93 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.833 1.197 . . . . 0.62 110.809 173.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 mt 52.09 42.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.474 0 CA-C-N 120.297 1.408 . . . . 0.62 110.234 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.8 t -105.52 139.06 19.8 Favored Pre-proline 0 C--N 1.354 0.802 0 CA-C-O 115.274 -2.298 . . . . 0.62 108.448 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.6 70.95 1.98 Allowed 'Trans proline' 0 C--N 1.355 0.876 0 CA-C-N 124.492 2.64 . . . . 0.53 110.998 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.2 m -170.76 -53.71 0.02 OUTLIER 'General case' 0 C--N 1.355 0.833 0 CA-C-O 118.779 -0.629 . . . . 0.62 110.472 -175.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.0 t -37.19 116.8 0.48 Allowed 'General case' 0 C--N 1.356 0.863 0 CA-C-O 118.267 -0.873 . . . . 0.62 111.621 178.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -90.2 146.36 24.32 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 120.783 1.629 . . . . 0.71 107.461 172.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 57.1 m . . . . . 0 C--N 1.353 0.741 0 CA-C-N 118.718 0.69 . . . . 0.82 110.759 171.264 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.2 mm . . . . . 0 N--CA 1.468 0.464 0 N-CA-C 105.687 -1.968 . . . . 0.62 105.687 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.2 p -112.33 149.63 32.16 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 121.951 2.159 . . . . 0.62 112.776 178.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.1 t -65.06 -28.48 69.5 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-O 117.338 -1.315 . . . . 0.82 112.221 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.47 -46.04 88.4 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-N 120.504 1.502 . . . . 0.62 111.829 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -61.89 -45.69 92.64 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 117.922 0.861 . . . . 0.68 109.395 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.4 HG13 HD22 ' A' ' 34' ' ' LEU . 93.7 t -59.53 -49.56 83.18 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 N-CA-C 106.304 -1.739 . . . . 0.62 106.304 -178.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.0 m -51.1 -46.52 61.86 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 121.748 -0.595 . . . . 0.62 109.855 -176.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.7 m -54.19 -43.62 70.87 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 120.271 -0.571 . . . . 0.62 111.741 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -58.42 -33.74 70.01 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 119.127 0.876 . . . . 0.68 112.55 177.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -77.78 -1.02 29.35 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 115.488 -2.196 . . . . 0.62 110.46 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.37 -54.78 5.87 Favored Pre-proline 0 C--N 1.359 0.98 0 CA-C-N 122.509 2.413 . . . . 0.62 112.888 -174.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.08 -22.78 18.98 Favored 'Trans proline' 0 C--N 1.362 1.252 0 CA-C-N 122.011 1.754 . . . . 0.53 111.901 -178.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.0 m -73.67 -40.16 63.89 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.962 -1.018 . . . . 0.82 108.404 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.425 HD22 HD11 ' A' ' 58' ' ' ILE . 26.1 mt -42.89 -44.02 4.35 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.486 1.039 . . . . 0.62 109.961 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.72 98.32 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 121.794 -0.566 . . . . 0.62 111.273 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -61.97 -39.76 93.25 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 118.772 0.714 . . . . 0.62 110.641 173.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.7 mt -57.5 -34.47 69.1 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 119.1 0.864 . . . . 0.62 109.961 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.5 ttt85 -85.71 22.04 1.72 Allowed 'General case' 0 C--N 1.354 0.781 0 CA-C-O 118.946 -0.55 . . . . 0.76 111.893 174.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.3 p30 39.82 29.7 0.05 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-N 121.221 1.828 . . . . 0.68 115.309 -174.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.2 m -106.89 -57.65 2.04 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 119.431 1.014 . . . . 0.62 110.204 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.69 153.54 17.46 Favored Glycine 0 C--N 1.354 1.547 0 CA-C-O 117.512 -1.716 . . . . 0.62 110.127 -177.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -72.45 -178.8 3.56 Favored 'Trans proline' 0 C--N 1.357 1.017 0 CA-C-N 121.423 2.612 . . . . 0.53 112.755 -178.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mp -74.9 -53.86 8.28 Favored 'General case' 0 C--N 1.351 0.64 0 N-CA-C 109.015 -0.735 . . . . 0.62 109.015 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.58 -120.53 7.78 Favored Glycine 0 C--N 1.354 1.53 0 N-CA-C 110.313 -1.115 . . . . 0.62 110.313 -176.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -76.85 -2.94 35.95 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 119.083 1.442 . . . . 0.76 114.479 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.6 t -46.01 -47.74 16.76 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 121.028 1.74 . . . . 0.82 109.841 172.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 67.6 m -54.08 -37.61 64.43 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 118.683 0.674 . . . . 0.82 111.461 -175.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.22 -48.26 87.0 Favored Glycine 0 C--N 1.351 1.401 0 C-N-CA 119.757 -1.211 . . . . 0.62 110.814 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.05 -47.61 86.1 Favored Glycine 0 C--N 1.353 1.515 0 N-CA-C 108.947 -1.661 . . . . 0.62 108.947 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.4 t -52.15 -44.38 40.46 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 109.094 -0.706 . . . . 0.62 109.094 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -56.73 -47.1 80.76 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 121.625 -0.672 . . . . 0.62 111.003 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.12 -28.22 68.94 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 119.958 1.253 . . . . 0.62 111.656 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.4 HD22 HG13 ' A' ' 7' ' ' VAL . 24.4 mt -64.14 -31.52 72.75 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.915 1.234 . . . . 0.62 109.538 175.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.1 t -54.97 -51.25 55.45 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 CA-C-N 120.255 1.389 . . . . 0.62 108.935 177.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -68.49 -39.45 81.29 Favored 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 107.838 -1.171 . . . . 0.68 107.838 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 m -79.4 62.1 3.64 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 106.643 -1.614 . . . . 0.62 106.643 172.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -172.24 -54.13 0.02 OUTLIER 'General case' 0 C--N 1.353 0.736 0 N-CA-C 109.366 -0.605 . . . . 0.62 109.366 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . 0.25 1.4 mmp_? -79.09 59.01 2.6 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 121.528 -0.732 . . . . 0.76 112.349 174.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 m -147.08 39.87 1.03 Allowed 'General case' 0 C--N 1.358 0.935 0 N-CA-C 107.562 -1.273 . . . . 0.62 107.562 169.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.6 m 52.98 -75.01 0.01 OUTLIER 'General case' 0 C--N 1.356 0.882 0 N-CA-C 115.919 1.822 . . . . 0.62 115.919 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -71.47 -40.66 70.14 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 121.179 1.809 . . . . 0.71 108.586 -175.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -45.58 -52.49 10.48 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-O 117.671 -1.157 . . . . 0.71 111.732 176.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -35.9 76.15 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-N 121.544 1.975 . . . . 0.76 109.785 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -61.89 -41.93 98.47 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 119.098 -1.041 . . . . 0.68 108.937 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.0 mm -72.04 -49.44 44.07 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 N-CA-C 108.654 -0.869 . . . . 0.62 108.654 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.34 -63.49 1.13 Allowed 'General case' 0 C--N 1.353 0.732 0 CA-C-N 120.112 1.324 . . . . 0.62 109.842 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.5 p -47.65 -44.19 26.79 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 119.844 1.202 . . . . 0.82 113.047 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.428 HG23 ' HB2' ' A' ' 87' ' ' CYS . 13.5 p -68.24 -48.83 64.07 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-N 119.86 1.209 . . . . 0.62 110.027 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 51.7 t -52.36 -40.58 62.16 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 119.114 -1.035 . . . . 0.82 110.567 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.6 mt -77.94 -42.23 33.66 Favored 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 119.849 -0.74 . . . . 0.62 110.208 -175.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -47.04 -48.62 22.18 Favored 'General case' 0 C--N 1.347 0.494 0 N-CA-C 108.576 -0.898 . . . . 0.62 108.576 171.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.5 t -63.35 -48.98 75.69 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.693 -0.67 . . . . 0.62 110.954 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.62 -54.55 40.02 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.587 1.085 . . . . 0.62 109.783 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.56 -51.04 29.68 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.251 -0.648 . . . . 0.62 109.251 -177.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.16 -38.54 94.58 Favored Glycine 0 C--N 1.354 1.56 0 C-N-CA 120.06 -1.066 . . . . 0.62 111.887 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.68 -29.84 69.22 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 118.88 1.34 . . . . 0.62 112.602 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.425 HD11 HD22 ' A' ' 15' ' ' LEU . 47.8 mm -61.64 136.84 24.63 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-N 120.31 1.414 . . . . 0.62 110.751 -175.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.9 p -69.06 -53.07 22.33 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 119.406 1.003 . . . . 0.62 113.524 -178.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -99.77 40.83 2.32 Favored Glycine 0 C--N 1.355 1.588 0 CA-C-N 119.317 0.962 . . . . 0.62 110.782 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.9 tp -52.02 122.17 2.41 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-O 117.0 -1.476 . . . . 0.62 112.009 -175.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -100.49 115.51 30.25 Favored 'General case' 0 C--N 1.359 1.009 0 CA-C-N 121.386 1.903 . . . . 0.68 108.895 171.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.2 tp -54.13 -45.43 71.93 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-N 118.928 0.786 . . . . 0.62 111.419 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.19 -44.14 93.3 Favored Glycine 0 C--N 1.354 1.576 0 C-N-CA 120.212 -0.994 . . . . 0.62 113.331 -176.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -72.66 -39.74 66.88 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 119.051 1.426 . . . . 0.62 109.244 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.5 -57.29 13.33 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.697 1.135 . . . . 0.62 110.695 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.29 -28.35 66.2 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-O 117.98 -1.009 . . . . 0.62 111.17 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -80.22 1.49 80.53 Favored Glycine 0 C--N 1.354 1.556 0 CA-C-O 117.765 -1.575 . . . . 0.62 113.188 173.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.78 -49.26 90.28 Favored Pre-proline 0 C--N 1.355 0.829 0 CA-C-N 121.161 2.48 . . . . 0.62 110.922 -177.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -65.47 -31.85 50.57 Favored 'Trans proline' 0 C--N 1.365 1.447 0 CA-C-N 124.499 2.642 . . . . 0.53 111.281 177.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 m -67.89 -39.07 83.7 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 118.55 0.614 . . . . 0.62 111.552 -178.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 80.4 m -62.27 -40.34 95.9 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 107.907 -1.145 . . . . 0.62 107.907 -177.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.2 m -116.91 88.07 2.83 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 106.664 -1.606 . . . . 0.82 106.664 172.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.71 127.65 3.11 Favored Glycine 0 C--N 1.356 1.653 0 CA-C-O 118.465 -1.186 . . . . 0.62 113.224 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -151.42 161.41 3.34 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 CA-C-N 118.725 1.263 . . . . 0.62 107.765 -177.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -84.13 54.52 2.97 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 120.909 1.686 . . . . 0.68 110.497 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.0 mt -91.31 120.89 68.28 Favored Pre-proline 0 C--N 1.355 0.813 0 CA-C-O 116.374 -1.774 . . . . 0.62 107.878 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -86.97 65.27 4.42 Favored 'Trans proline' 0 C--N 1.363 1.301 0 CA-C-N 123.616 2.327 . . . . 0.53 111.474 177.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . 0.251 23.7 p90 -179.38 146.48 0.28 Allowed 'General case' 0 C--O 1.217 -0.647 0 CA-C-O 118.528 -0.749 . . . . 0.62 109.682 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -112.17 50.27 0.87 Allowed 'General case' 0 C--N 1.353 0.74 0 CA-C-N 120.534 1.516 . . . . 0.62 107.013 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.4 mt 29.75 59.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.349 0.553 0 CA-C-N 114.672 -1.149 . . . . 0.62 113.317 175.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.2 m -83.55 134.58 44.78 Favored Pre-proline 0 C--N 1.352 0.684 0 CA-C-O 116.091 -1.909 . . . . 0.62 109.269 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -65.02 11.97 0.11 Allowed 'Trans proline' 0 C--N 1.363 1.295 0 CA-C-N 123.648 2.338 . . . . 0.53 116.209 170.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.5 p -140.95 26.91 2.02 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 121.135 1.789 . . . . 0.62 111.468 176.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.0 t -79.42 146.4 32.81 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 119.893 1.224 . . . . 0.62 112.532 -177.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -88.31 145.08 26.03 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 107.771 -1.196 . . . . 0.71 107.771 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.428 ' HB2' HG23 ' A' ' 49' ' ' THR . 73.8 m . . . . . 0 C--N 1.355 0.839 0 CA-C-N 119.363 0.983 . . . . 0.82 112.739 176.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.4 mm . . . . . 0 CA--C 1.505 -0.755 0 N-CA-C 108.394 -0.965 . . . . 0.62 108.394 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.8 m -143.69 150.27 38.43 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 118.742 0.701 . . . . 0.62 109.419 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.9 m -54.07 -32.41 54.58 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-O 117.918 -1.039 . . . . 0.82 113.575 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.85 -50.04 51.91 Favored Glycine 0 C--N 1.351 1.405 0 CA-C-N 120.67 1.577 . . . . 0.62 112.562 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -57.78 -35.1 70.33 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 118.217 1.009 . . . . 0.68 110.679 177.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.2 t -75.17 -51.99 19.91 Favored 'Isoleucine or valine' 0 C--N 1.35 0.602 0 N-CA-C 109.257 -0.646 . . . . 0.62 109.257 -172.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 m -56.54 -38.6 72.09 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 118.103 0.411 . . . . 0.62 110.24 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.1 m -65.17 -53.53 43.44 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 120.586 -0.446 . . . . 0.62 110.722 -177.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -60.92 -41.95 97.17 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 119.759 -0.776 . . . . 0.68 110.18 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.439 HD22 ' CD2' ' A' ' 51' ' ' LEU 0.307 5.5 mp -79.71 18.67 0.74 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.426 -1.273 . . . . 0.62 114.086 179.379 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.99 -54.02 54.8 Favored Pre-proline 0 C--N 1.353 0.737 0 CA-C-N 121.865 2.12 . . . . 0.62 112.821 -175.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -70.14 -28.57 23.26 Favored 'Trans proline' 0 C--N 1.362 1.287 0 CA-C-N 124.056 2.484 . . . . 0.53 110.394 -177.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.6 m -60.56 -38.79 85.71 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 108.697 -0.853 . . . . 0.82 108.697 177.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.5 mt -54.95 -44.94 74.78 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 119.88 1.218 . . . . 0.62 109.011 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.98 88.07 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 119.714 -0.795 . . . . 0.62 110.305 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -62.84 -37.96 88.89 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 112.722 0.638 . . . . 0.62 112.722 175.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.44 -40.28 96.08 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 119.224 0.92 . . . . 0.62 109.832 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -65.81 -10.77 40.75 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 118.16 -0.924 . . . . 0.76 112.233 175.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.9 t30 63.58 58.82 1.26 Allowed 'General case' 0 C--N 1.356 0.871 0 CA-C-N 120.426 1.466 . . . . 0.68 108.846 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -159.87 -49.98 0.05 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.058 -1.448 . . . . 0.62 113.015 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -98.94 147.91 18.65 Favored Glycine 0 C--N 1.359 1.839 0 CA-C-N 121.407 1.912 . . . . 0.62 109.177 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -72.72 136.5 25.68 Favored 'Trans proline' 0 C--N 1.354 0.865 0 CA-C-N 121.418 2.609 . . . . 0.53 114.799 -174.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -58.95 -32.59 69.76 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 120.342 1.428 . . . . 0.62 112.083 173.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.15 -132.11 19.17 Favored Glycine 0 C--N 1.348 1.218 0 CA-C-O 117.877 -1.513 . . . . 0.62 113.078 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -91.25 31.24 1.15 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.639 1.72 . . . . 0.76 112.241 -177.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 46.5 t -55.12 -39.93 69.94 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 120.126 1.33 . . . . 0.82 110.242 175.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.7 m -47.71 -38.58 15.55 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 112.414 0.524 . . . . 0.82 112.414 -172.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.09 -51.04 58.29 Favored Glycine 0 C--N 1.35 1.342 0 C-N-CA 119.946 -1.121 . . . . 0.62 111.823 178.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.0 -31.28 80.3 Favored Glycine 0 C--N 1.353 1.482 0 C-N-CA 119.7 -1.238 . . . . 0.62 111.713 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.42 -53.42 47.57 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 N-CA-C 106.898 -1.519 . . . . 0.62 106.898 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -49.89 -48.36 51.48 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 116.549 -0.296 . . . . 0.62 110.935 -176.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.61 -48.04 58.05 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 119.532 -0.867 . . . . 0.62 110.714 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.7 mt -67.61 -28.73 67.99 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 118.293 -0.861 . . . . 0.62 112.863 -177.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.2 t -47.85 -46.82 12.17 Favored 'Isoleucine or valine' 0 C--N 1.348 0.51 0 N-CA-C 107.439 -1.319 . . . . 0.62 107.439 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -55.01 -44.54 74.66 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 109.158 -0.682 . . . . 0.68 109.158 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 94.9 p -91.47 47.94 1.43 Allowed 'General case' 0 C--N 1.35 0.595 0 CA-C-O 119.403 -0.332 . . . . 0.62 110.737 171.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -158.89 48.44 0.33 Allowed 'General case' 0 C--N 1.348 0.502 0 N-CA-C 109.228 -0.656 . . . . 0.62 109.228 171.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.85 -41.36 0.15 Allowed 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 117.199 -1.381 . . . . 0.76 112.189 -173.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.81 46.31 0.01 OUTLIER 'General case' 0 C--N 1.36 1.031 0 CA-C-N 122.01 2.186 . . . . 0.62 116.543 175.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.7 m 67.46 -57.34 0.44 Allowed 'General case' 0 N--CA 1.478 0.97 0 O-C-N 118.672 -2.517 . . . . 0.62 115.777 176.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -79.87 -67.26 0.78 Allowed 'General case' 0 C--N 1.352 0.702 0 N-CA-C 107.1 -1.445 . . . . 0.71 107.1 -177.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 44' ' ' ARG . 3.2 p30 -48.28 -44.96 34.18 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 110.016 -0.364 . . . . 0.71 110.016 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.426 ' N ' ' OD1' ' A' ' 43' ' ' ASP . 46.2 ttp180 -42.06 -50.37 4.69 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 113.324 0.861 . . . . 0.76 113.324 176.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -76.25 -39.4 54.55 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 109.048 -0.723 . . . . 0.68 109.048 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mp -53.95 -50.26 54.47 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-N 118.701 0.682 . . . . 0.62 109.966 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.01 -43.06 79.71 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 108.293 -1.003 . . . . 0.62 108.293 -174.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.2 t -53.03 -55.42 23.81 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 118.357 -0.83 . . . . 0.82 110.963 175.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.8 t -65.04 -38.82 92.12 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.431 1.468 . . . . 0.62 111.491 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 94.7 m -60.72 -47.94 84.05 Favored 'General case' 0 CA--C 1.505 -0.756 0 C-N-CA 119.29 -0.964 . . . . 0.82 109.583 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.562 ' HB3' HG23 ' A' ' 81' ' ' ILE . 19.6 mt -66.05 -52.7 46.58 Favored 'General case' 0 CA--C 1.504 -0.804 0 C-N-CA 119.097 -1.041 . . . . 0.62 109.943 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.517 ' HG3' ' HA ' ' A' ' 83' ' ' PRO . 55.4 tttm -39.34 -42.88 1.1 Allowed 'General case' 0 C--N 1.344 0.357 0 C-N-CA 120.367 -0.533 . . . . 0.62 110.083 172.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.4 m -71.48 -50.3 32.91 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 118.419 0.554 . . . . 0.62 110.951 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.51 -44.57 80.87 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 118.865 0.757 . . . . 0.62 110.165 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.32 -59.54 4.98 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 108.878 -0.786 . . . . 0.62 108.878 173.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.91 -23.42 61.37 Favored Glycine 0 C--N 1.35 1.339 0 C-N-CA 120.062 -1.066 . . . . 0.62 113.289 -174.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.69 -25.97 67.74 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.539 1.67 . . . . 0.62 112.134 176.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.4 mt -80.4 132.03 32.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 CA-C-N 119.783 1.174 . . . . 0.62 109.168 -174.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.0 m -76.33 -49.33 17.19 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-N 120.21 1.368 . . . . 0.62 109.892 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.49 40.16 2.57 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-N 119.237 0.926 . . . . 0.62 112.406 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.8 tt -64.2 138.64 22.71 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 CA-C-N 119.469 1.635 . . . . 0.62 110.54 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -92.22 123.02 35.25 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.406 1.003 . . . . 0.68 109.288 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.7 -50.92 63.11 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 119.269 0.941 . . . . 0.62 109.254 -174.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.67 -43.24 94.48 Favored Glycine 0 C--N 1.351 1.414 0 CA-C-O 118.369 -1.239 . . . . 0.62 111.863 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -70.87 -31.08 67.64 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 119.709 1.755 . . . . 0.62 110.6 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.48 -51.51 68.17 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 120.623 1.556 . . . . 0.62 109.45 171.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.37 -26.63 62.88 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 118.767 -1.173 . . . . 0.62 111.595 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -78.47 -22.3 67.65 Favored Glycine 0 C--N 1.353 1.496 0 CA-C-O 118.47 -1.183 . . . . 0.62 113.061 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.411 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 51.9 tp -49.35 -50.56 64.16 Favored Pre-proline 0 C--N 1.348 0.531 0 CA-C-N 120.61 2.205 . . . . 0.62 113.987 -178.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 44.2 Cg_endo -64.26 -21.71 67.07 Favored 'Trans proline' 0 C--N 1.357 0.981 0 CA-C-N 124.475 2.634 . . . . 0.53 111.866 177.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.7 t -77.05 -52.95 8.44 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.848 1.204 . . . . 0.62 108.89 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.5 m -60.28 -47.39 86.22 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 109.31 -0.626 . . . . 0.62 109.31 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 38.6 m -92.49 69.33 4.94 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 107.708 -1.219 . . . . 0.82 107.708 169.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -31.94 108.51 0.03 OUTLIER Glycine 0 C--N 1.35 1.355 0 CA-C-O 117.988 -1.451 . . . . 0.62 113.625 175.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 m -143.94 155.76 15.77 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 CA-C-N 119.606 1.703 . . . . 0.62 110.618 176.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -88.32 57.47 4.27 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 119.367 0.985 . . . . 0.68 110.706 -176.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 13.4 pt -97.28 135.16 21.97 Favored Pre-proline 0 C--N 1.358 0.952 0 CA-C-O 117.19 -1.386 . . . . 0.62 110.193 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -87.54 51.41 2.15 Favored 'Trans proline' 0 C--N 1.357 1.023 0 CA-C-N 122.45 1.911 . . . . 0.53 112.173 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -163.67 142.06 7.72 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-O 117.496 -1.24 . . . . 0.62 110.109 176.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -87.94 28.48 1.03 Allowed 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.741 1.609 . . . . 0.62 113.408 -175.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.562 HG23 ' HB3' ' A' ' 51' ' ' LEU . 5.3 mt 44.69 36.09 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.712 0 O-C-N 120.865 -1.147 . . . . 0.62 110.62 177.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.2 m -95.43 130.53 31.9 Favored Pre-proline 0 C--N 1.353 0.751 0 CA-C-O 116.086 -1.911 . . . . 0.62 108.022 -171.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.517 ' HA ' ' HG3' ' A' ' 52' ' ' LYS . 67.0 Cg_endo -75.18 66.29 6.19 Favored 'Trans proline' 0 C--N 1.363 1.308 0 CA-C-N 124.349 2.589 . . . . 0.53 110.77 -178.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.6 p -177.84 -53.14 0.01 OUTLIER 'General case' 0 C--N 1.354 0.773 0 CA-C-O 118.362 -0.828 . . . . 0.62 110.717 -174.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.2 t -42.99 143.54 0.73 Allowed 'General case' 0 C--N 1.357 0.9 0 CA-C-N 119.415 1.007 . . . . 0.62 112.375 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -71.28 127.32 32.18 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 118.258 -0.877 . . . . 0.71 108.825 176.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 78.0 m . . . . . 0 C--N 1.354 0.775 0 CA-C-N 119.694 1.134 . . . . 0.82 110.343 170.067 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 118.413 -0.803 . . . . 0.62 112.719 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 m -161.69 148.49 14.21 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 120.43 1.468 . . . . 0.62 111.298 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 85.1 m -53.82 -33.59 56.63 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 115.128 1.529 . . . . 0.82 115.128 -178.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.01 -50.2 62.88 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-N 120.989 1.722 . . . . 0.62 111.03 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -60.85 -45.11 95.78 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 118.171 0.985 . . . . 0.68 109.668 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.473 HG13 HD13 ' A' ' 34' ' ' LEU . 89.6 t -58.41 -56.25 17.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 107.633 -1.247 . . . . 0.62 107.633 -177.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.0 m -59.21 -39.38 82.49 Favored 'General case' 0 C--N 1.347 0.496 0 N-CA-C 109.14 -0.689 . . . . 0.62 109.14 -174.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.1 m -63.62 -52.11 62.31 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 120.225 -0.59 . . . . 0.62 110.218 -179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -53.93 -32.02 52.25 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 119.851 -0.74 . . . . 0.68 111.393 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.733 HD11 HD23 ' A' ' 51' ' ' LEU . 96.3 mt -71.16 2.92 3.98 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 116.134 -1.888 . . . . 0.62 113.338 177.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.72 -56.17 9.11 Favored Pre-proline 0 C--N 1.358 0.941 0 CA-C-N 123.508 2.867 . . . . 0.62 115.152 -172.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.33 -15.58 22.47 Favored 'Trans proline' 0 C--N 1.362 1.246 0 CA-C-N 123.776 2.384 . . . . 0.53 111.248 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.7 m -73.51 -48.98 29.0 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 119.969 1.259 . . . . 0.82 107.656 176.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.8 mt -46.05 -44.6 15.49 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 109.358 -0.608 . . . . 0.62 109.358 178.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.81 -44.95 90.94 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 120.409 -0.516 . . . . 0.62 111.497 177.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -59.69 -45.13 93.02 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.018 0.826 . . . . 0.62 110.192 175.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.4 mt -59.45 -40.69 87.65 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 118.54 0.609 . . . . 0.62 111.333 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -69.21 -5.69 24.3 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-O 117.729 -1.129 . . . . 0.76 112.574 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 65.24 59.12 0.84 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.819 1.645 . . . . 0.68 109.104 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -160.19 -46.89 0.05 OUTLIER 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.396 -1.288 . . . . 0.62 113.0 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.44 159.37 16.99 Favored Glycine 0 C--N 1.358 1.786 0 CA-C-O 117.341 -1.811 . . . . 0.62 110.914 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -81.14 174.35 10.88 Favored 'Trans proline' 0 C--N 1.358 1.057 0 CA-C-N 121.47 2.635 . . . . 0.53 112.237 -178.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mp -64.84 -47.25 78.64 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.893 -0.575 . . . . 0.62 110.186 176.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 51.61 -120.47 10.26 Favored Glycine 0 C--N 1.351 1.38 0 CA-C-O 117.581 -1.677 . . . . 0.62 112.036 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -89.55 18.52 5.3 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-N 120.358 2.079 . . . . 0.76 112.391 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.3 t -55.26 -52.14 64.37 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 120.091 1.314 . . . . 0.82 109.938 176.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.4 m -55.91 -37.41 68.86 Favored 'General case' 0 C--N 1.347 0.466 0 C-N-CA 118.851 -1.139 . . . . 0.82 109.73 -176.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.6 -48.17 87.35 Favored Glycine 0 C--N 1.354 1.55 0 C-N-CA 120.037 -1.078 . . . . 0.62 111.611 176.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.82 -49.52 75.09 Favored Glycine 0 C--N 1.353 1.481 0 C-N-CA 119.267 -1.445 . . . . 0.62 109.746 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.5 t -52.91 -50.88 41.81 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 N-CA-C 108.253 -1.018 . . . . 0.62 108.253 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -49.27 -51.27 34.76 Favored 'General case' 0 C--N 1.35 0.611 0 N-CA-C 112.284 0.476 . . . . 0.62 112.284 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.81 -38.89 73.2 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 118.888 0.767 . . . . 0.62 111.426 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.473 HD13 HG13 ' A' ' 7' ' ' VAL . 48.5 mt -69.17 -44.79 71.5 Favored 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 108.955 -0.757 . . . . 0.62 108.955 -178.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 50.6 t -54.21 -48.37 66.54 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 109.218 -0.66 . . . . 0.62 109.218 -177.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -54.54 -43.97 72.44 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 119.572 -0.851 . . . . 0.68 110.43 175.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.6 m -92.74 38.68 1.02 Allowed 'General case' 0 C--N 1.354 0.787 0 CA-C-N 119.242 0.928 . . . . 0.62 111.261 176.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -162.53 49.9 0.18 Allowed 'General case' 0 C--N 1.352 0.711 0 CA-C-O 118.376 -0.821 . . . . 0.62 109.347 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.11 36.71 0.93 Allowed 'General case' 0 C--N 1.356 0.889 0 CA-C-N 118.784 0.72 . . . . 0.76 112.769 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.4 t -140.25 50.04 1.72 Allowed 'General case' 0 C--N 1.35 0.608 0 CA-C-N 119.507 1.048 . . . . 0.62 108.959 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.9 m 68.37 -71.4 0.11 Allowed 'General case' 0 C--N 1.353 0.722 0 N-CA-C 112.689 0.625 . . . . 0.62 112.689 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.89 -58.15 9.65 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 120.1 1.318 . . . . 0.71 110.118 -174.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -62.87 -41.04 99.24 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 120.082 -0.647 . . . . 0.71 111.491 -177.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.413 ' CZ ' ' CE1' ' A' ' 79' ' ' TYR . 3.7 tpm_? -48.6 -44.31 36.89 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 119.047 -0.502 . . . . 0.76 111.074 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -62.46 -47.06 85.68 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.13 0.877 . . . . 0.68 110.901 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.4 mm -62.53 -50.67 78.9 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 N-CA-C 107.102 -1.444 . . . . 0.62 107.102 -174.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.2 85.01 Favored 'General case' 0 CA--C 1.505 -0.772 0 C-N-CA 119.111 -1.036 . . . . 0.62 109.306 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.8 t -49.82 -50.21 45.97 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 120.045 1.293 . . . . 0.82 110.798 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.57 -40.7 97.64 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.889 -0.724 . . . . 0.62 110.455 -178.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 57.7 m -70.08 -43.53 70.94 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 120.193 -0.603 . . . . 0.82 111.878 -177.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.733 HD23 HD11 ' A' ' 11' ' ' LEU . 12.1 mt -58.38 -49.66 76.46 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 108.412 -0.959 . . . . 0.62 108.412 176.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -51.77 -51.98 52.24 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 116.377 -0.374 . . . . 0.62 110.488 174.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -60.5 -48.27 82.51 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.385 0.539 . . . . 0.62 111.023 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.87 -53.73 37.17 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 109.902 -0.407 . . . . 0.62 109.902 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.22 -52.25 66.49 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 119.982 -0.687 . . . . 0.62 109.797 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.03 -24.17 58.06 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-O 118.038 -1.423 . . . . 0.62 112.87 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.63 -22.74 67.06 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.232 2.016 . . . . 0.62 111.324 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 34.8 mm -78.94 130.27 36.38 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 CA-C-N 119.39 0.996 . . . . 0.62 110.147 -171.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.9 m -73.85 -53.43 10.21 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.4 1.0 . . . . 0.62 109.227 -174.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.73 45.88 2.92 Favored Glycine 0 C--N 1.356 1.659 0 N-CA-C 110.029 -1.228 . . . . 0.62 110.029 175.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 tt -56.38 131.24 19.75 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-N 118.52 1.16 . . . . 0.62 109.242 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -96.15 120.22 36.04 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.653 1.115 . . . . 0.68 108.209 175.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.7 tt -61.2 -52.34 65.22 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.169 0.895 . . . . 0.62 109.699 -173.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.34 -43.45 93.77 Favored Glycine 0 C--N 1.353 1.503 0 CA-C-O 118.658 -1.079 . . . . 0.62 112.556 -176.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -66.44 -41.46 89.12 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 119.319 1.56 . . . . 0.62 109.328 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.11 82.78 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 120.389 1.449 . . . . 0.62 110.329 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.73 -29.03 65.18 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 119.368 -0.933 . . . . 0.62 112.276 177.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -79.71 -20.07 69.31 Favored Glycine 0 C--N 1.353 1.484 0 CA-C-O 118.542 -1.143 . . . . 0.62 112.445 176.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.4 tp -49.37 -56.46 16.14 Favored Pre-proline 0 C--N 1.352 0.704 0 CA-C-N 119.852 1.826 . . . . 0.62 112.672 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.27 -32.8 15.8 Favored 'Trans proline' 0 C--N 1.355 0.907 0 CA-C-N 123.587 2.317 . . . . 0.53 110.191 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.7 m -58.75 -36.66 74.7 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 119.692 1.133 . . . . 0.62 110.029 176.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.7 m -56.7 -47.92 78.85 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 108.036 -1.098 . . . . 0.62 108.036 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 56.4 m -113.75 74.07 0.85 Allowed 'General case' 0 C--N 1.354 0.764 0 N-CA-C 108.659 -0.867 . . . . 0.82 108.659 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.4 113.94 4.65 Favored Glycine 0 C--N 1.353 1.493 0 CA-C-O 118.223 -1.321 . . . . 0.62 112.46 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.12 -161.9 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.786 0 N-CA-C 105.098 -2.186 . . . . 0.62 105.098 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -71.58 72.63 0.74 Allowed 'General case' 0 C--N 1.356 0.864 0 CA-C-N 123.562 2.892 . . . . 0.68 111.72 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.466 HG23 ' CZ ' ' A' ' 79' ' ' TYR . 43.5 mt -121.09 95.31 48.82 Favored Pre-proline 0 C--N 1.355 0.837 0 CA-C-O 116.906 -1.521 . . . . 0.62 109.431 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -83.98 57.16 5.34 Favored 'Trans proline' 0 C--N 1.362 1.238 0 CA-C-N 123.051 2.125 . . . . 0.53 111.257 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.466 ' CZ ' HG23 ' A' ' 77' ' ' ILE . 34.0 p90 -166.71 174.87 8.31 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 117.004 -1.474 . . . . 0.62 109.462 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.76 45.47 2.81 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 121.092 1.769 . . . . 0.62 109.286 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 42.5 mt 35.88 52.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-N 115.312 -0.858 . . . . 0.62 109.656 -177.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.1 m -68.0 127.39 93.32 Favored Pre-proline 0 C--N 1.353 0.751 0 CA-C-O 116.015 -1.945 . . . . 0.62 108.495 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -67.32 4.63 1.17 Allowed 'Trans proline' 0 C--N 1.358 1.039 0 CA-C-N 124.788 2.746 . . . . 0.53 113.67 172.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.7 m -140.31 34.0 1.89 Allowed 'General case' 0 C--N 1.358 0.953 0 CA-C-N 121.488 1.949 . . . . 0.62 111.096 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.5 t -83.06 152.88 25.17 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 120.031 1.287 . . . . 0.62 109.983 177.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -94.96 131.1 41.28 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 107.403 -1.332 . . . . 0.71 107.403 174.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 90.1 m . . . . . 0 C--N 1.351 0.659 0 CA-C-N 119.261 0.937 . . . . 0.82 109.016 174.608 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.505 0 CA-C-O 118.295 -0.86 . . . . 0.62 112.489 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.6 p -149.19 158.06 43.87 Favored 'General case' 0 C--N 1.36 1.028 0 CA-C-N 119.484 1.038 . . . . 0.62 109.861 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 80.5 m -49.31 -44.62 44.4 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 113.924 1.083 . . . . 0.82 113.924 -177.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.91 -43.91 61.31 Favored Glycine 0 C--N 1.349 1.26 0 C-N-CA 119.179 -1.486 . . . . 0.62 111.44 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -69.28 -44.72 71.27 Favored 'General case' 0 C--N 1.351 0.665 0 N-CA-C 108.956 -0.757 . . . . 0.68 108.956 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.1 t -59.63 -54.03 40.16 Favored 'Isoleucine or valine' 0 C--N 1.349 0.574 0 C-N-CA 120.034 -0.666 . . . . 0.62 109.552 -174.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.3 m -58.78 -41.04 85.71 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 119.85 -0.74 . . . . 0.62 109.725 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.9 t -58.97 -44.65 91.57 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 119.957 -0.697 . . . . 0.62 111.059 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -53.24 -42.92 66.93 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.218 0.917 . . . . 0.68 110.163 175.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 mp -85.68 21.69 1.79 Allowed 'General case' 0 C--N 1.349 0.546 0 N-CA-C 113.915 1.08 . . . . 0.62 113.915 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.35 -52.81 59.48 Favored Pre-proline 0 C--N 1.353 0.756 0 CA-C-O 116.32 -1.8 . . . . 0.62 112.878 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -75.18 -16.11 19.99 Favored 'Trans proline' 0 C--N 1.361 1.228 0 CA-C-N 124.109 2.503 . . . . 0.53 111.783 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.5 m -68.21 -35.27 77.7 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.989 1.268 . . . . 0.82 109.88 172.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.3 mt -48.4 -42.99 33.51 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 108.434 -0.95 . . . . 0.62 108.434 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.532 ' HB1' ' HA3' ' A' ' 22' ' ' GLY . . . -55.68 -46.75 77.55 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 111.885 0.328 . . . . 0.62 111.885 175.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.41 ' CE1' ' HE2' ' A' ' 65' ' ' LYS . 79.4 t80 -60.37 -40.77 91.99 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 121.919 -0.488 . . . . 0.62 111.079 177.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.17 -35.95 81.82 Favored 'General case' 0 CA--C 1.508 -0.664 0 O-C-N 123.153 0.283 . . . . 0.62 111.718 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -63.81 -13.8 47.54 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 119.649 -0.821 . . . . 0.76 111.881 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.6 t30 68.09 51.45 0.73 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-N 119.954 1.252 . . . . 0.68 110.581 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.3 t -165.92 -47.98 0.03 OUTLIER 'General case' 0 C--N 1.352 0.684 0 CA-C-O 117.941 -1.028 . . . . 0.62 113.058 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.532 ' HA3' ' HB1' ' A' ' 16' ' ' ALA . . . -91.69 157.87 24.8 Favored Glycine 0 C--N 1.354 1.582 0 CA-C-N 120.637 1.562 . . . . 0.62 110.01 -177.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -73.93 175.13 11.24 Favored 'Trans proline' 0 C--N 1.354 0.838 0 CA-C-N 120.563 2.181 . . . . 0.53 113.496 -175.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mp -75.4 -35.35 61.04 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 118.662 -0.685 . . . . 0.62 110.674 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.19 -121.26 21.53 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-O 117.725 -1.597 . . . . 0.62 110.758 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.4 mmt85 -99.28 37.64 1.53 Allowed 'General case' 0 C--N 1.358 0.942 0 CA-C-N 119.952 1.876 . . . . 0.76 111.705 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.4 t -62.29 -54.03 46.48 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 121.597 -0.689 . . . . 0.82 109.543 174.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.9 m -54.46 -42.09 70.23 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 118.661 -1.216 . . . . 0.82 110.209 -176.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.22 -47.46 90.7 Favored Glycine 0 C--N 1.352 1.421 0 C-N-CA 119.656 -1.259 . . . . 0.62 112.145 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.57 -43.31 96.72 Favored Glycine 0 C--N 1.352 1.433 0 C-N-CA 119.494 -1.336 . . . . 0.62 111.628 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.0 t -60.93 -52.0 66.69 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 107.25 -1.389 . . . . 0.62 107.25 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -41.03 -47.46 3.09 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 112.532 0.567 . . . . 0.62 112.532 -178.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.72 95.32 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 118.878 -1.129 . . . . 0.62 110.112 -176.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.8 mt -70.21 -30.11 67.13 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-O 117.429 -1.272 . . . . 0.62 110.552 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.1 t -54.64 -47.41 72.75 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-N 121.827 2.103 . . . . 0.62 108.352 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -64.46 -37.67 88.35 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 119.624 -0.83 . . . . 0.68 111.359 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 65.7 m -80.92 -40.36 24.73 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 118.347 0.521 . . . . 0.62 110.916 -176.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.32 46.53 0.11 Allowed 'General case' 0 C--N 1.348 0.534 0 C-N-CA 123.496 0.718 . . . . 0.62 112.511 175.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -136.29 42.8 2.53 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.534 1.061 . . . . 0.76 109.589 171.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 42' ' ' GLU . 1.9 m -133.09 30.22 3.97 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 109.414 -0.587 . . . . 0.62 109.414 172.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.27 27.9 m 57.3 -73.04 0.02 OUTLIER 'General case' 0 C--N 1.355 0.838 0 N-CA-C 113.633 0.975 . . . . 0.62 113.633 -176.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 40' ' ' THR . 1.9 tm-20 -52.52 -51.93 57.17 Favored 'General case' 0 C--N 1.347 0.482 0 N-CA-C 107.634 -1.247 . . . . 0.71 107.634 -178.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -63.56 -44.23 94.74 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 119.798 -0.761 . . . . 0.71 112.656 -177.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -52.34 -41.11 62.74 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 112.856 0.687 . . . . 0.76 112.856 176.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -60.47 -39.21 86.81 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 118.854 -1.138 . . . . 0.68 110.149 -176.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.3 mm -62.37 -50.04 81.52 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 N-CA-C 108.104 -1.073 . . . . 0.62 108.104 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.55 -63.19 1.2 Allowed 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.376 0.989 . . . . 0.62 111.18 -177.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.2 p -60.85 -41.47 95.94 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 118.023 -0.989 . . . . 0.82 112.621 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 49.5 m -66.45 -45.7 78.91 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.59 1.541 . . . . 0.62 109.79 -175.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 89.3 m -60.9 -43.52 98.39 Favored 'General case' 0 CA--C 1.511 -0.545 0 O-C-N 121.035 -1.041 . . . . 0.82 110.517 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.479 HD13 HD13 ' A' ' 81' ' ' ILE . 35.9 mt -68.24 -43.24 78.34 Favored 'General case' 0 CA--C 1.507 -0.677 0 C-N-CA 119.343 -0.943 . . . . 0.62 110.212 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.48 ' HG3' ' HA ' ' A' ' 83' ' ' PRO . 37.7 tttp -46.24 -52.08 13.19 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 109.054 -0.721 . . . . 0.62 109.054 175.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.8 p -66.81 -42.8 85.33 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 118.384 -0.817 . . . . 0.62 110.948 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.26 -53.96 52.34 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 120.178 1.354 . . . . 0.62 109.407 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.48 -49.31 64.96 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 120.233 -0.587 . . . . 0.62 110.013 175.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.68 -35.0 56.76 Favored Glycine 0 C--N 1.35 1.358 0 C-N-CA 119.534 -1.317 . . . . 0.62 112.317 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.51 -32.56 72.62 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 118.896 1.348 . . . . 0.62 113.087 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 58' ' ' ILE . 68.4 mt -67.68 132.29 32.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 CA-C-N 119.729 1.15 . . . . 0.62 108.778 -176.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.5 m -71.82 -52.21 18.6 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 120.101 1.318 . . . . 0.62 113.152 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.19 41.17 3.08 Favored Glycine 0 C--N 1.355 1.598 0 CA-C-N 119.504 1.047 . . . . 0.62 111.565 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.13 138.14 22.88 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 CA-C-O 117.626 -1.178 . . . . 0.62 109.136 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -110.78 127.22 55.29 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 119.102 0.865 . . . . 0.68 109.69 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.43 -48.84 76.12 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 109.284 -0.636 . . . . 0.62 109.284 -173.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.24 -39.84 95.1 Favored Glycine 0 C--N 1.351 1.399 0 C-N-CA 119.84 -1.171 . . . . 0.62 112.173 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.41 ' HE2' ' CE1' ' A' ' 17' ' ' TYR . 13.2 mmmm -66.71 -40.31 88.38 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 118.256 1.028 . . . . 0.62 109.203 -178.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.56 -55.51 31.14 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 119.513 -0.875 . . . . 0.62 112.39 173.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.55 -16.52 63.77 Favored 'General case' 0 C--N 1.346 0.442 0 C-N-CA 118.895 -1.122 . . . . 0.62 112.5 175.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.86 -26.06 74.82 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-N 120.661 1.573 . . . . 0.62 113.745 175.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.0 mt -48.89 -56.79 13.5 Favored Pre-proline 0 C--N 1.351 0.658 0 CA-C-N 120.22 2.01 . . . . 0.62 114.325 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.22 -22.06 55.16 Favored 'Trans proline' 0 C--N 1.36 1.166 0 CA-C-N 123.927 2.438 . . . . 0.53 113.064 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.2 t -83.85 -53.23 5.75 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 119.419 1.009 . . . . 0.62 109.671 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.7 m -67.94 -46.83 70.36 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 118.302 0.501 . . . . 0.62 110.642 -177.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 86.9 m -90.83 64.88 5.65 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 107.452 -1.314 . . . . 0.82 107.452 171.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -36.21 101.43 0.01 OUTLIER Glycine 0 C--N 1.351 1.417 0 CA-C-O 117.763 -1.576 . . . . 0.62 114.53 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 7.8 m -141.08 157.05 22.43 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 CA-C-N 119.449 1.625 . . . . 0.62 110.126 176.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -80.98 61.73 4.69 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 118.974 0.806 . . . . 0.68 110.52 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.3 pt -89.26 119.01 69.66 Favored Pre-proline 0 C--N 1.359 1.002 0 CA-C-O 116.837 -1.554 . . . . 0.62 107.977 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -81.85 54.28 4.98 Favored 'Trans proline' 0 C--N 1.356 0.952 0 CA-C-N 123.049 2.125 . . . . 0.53 110.966 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -171.98 133.36 0.71 Allowed 'General case' 0 C--N 1.352 0.694 0 CA-C-O 117.334 -1.317 . . . . 0.62 108.534 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -82.29 134.44 35.27 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 105.251 -2.129 . . . . 0.62 105.251 176.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.479 HD13 HD13 ' A' ' 51' ' ' LEU . 78.2 mt -76.94 101.39 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.726 0 N-CA-C 104.063 -2.569 . . . . 0.62 104.063 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.5 m -153.01 146.64 18.17 Favored Pre-proline 0 C--N 1.356 0.863 0 CA-C-N 121.023 1.738 . . . . 0.62 111.046 177.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.48 ' HA ' ' HG3' ' A' ' 52' ' ' LYS . 65.0 Cg_endo -68.09 -15.69 43.5 Favored 'Trans proline' 0 C--N 1.361 1.212 0 CA-C-N 122.185 1.816 . . . . 0.53 112.17 -178.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.8 t -73.3 -44.61 58.75 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 119.658 1.117 . . . . 0.62 111.972 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.1 t -72.89 156.53 38.78 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.869 -1.062 . . . . 0.62 111.611 -175.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.16 148.56 44.06 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.317 0.962 . . . . 0.71 108.462 174.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 10.8 m . . . . . 0 C--N 1.353 0.744 0 CA-C-N 118.197 0.453 . . . . 0.82 110.38 176.583 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 29.0 mm . . . . . 0 CA--C 1.509 -0.599 0 CA-C-O 118.393 -0.813 . . . . 0.62 108.889 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.57 158.66 43.67 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 108.936 -0.764 . . . . 0.62 108.936 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.5 m -60.31 -35.01 74.6 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 119.226 -0.99 . . . . 0.82 111.969 -176.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.47 -43.41 85.31 Favored Glycine 0 C--N 1.352 1.439 0 CA-C-N 120.377 1.444 . . . . 0.62 112.178 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -58.77 -36.55 74.57 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 118.178 0.989 . . . . 0.68 109.569 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.6 t -72.87 -63.78 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.591 0 N-CA-C 109.831 -0.433 . . . . 0.62 109.831 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 m -46.8 -48.35 20.77 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 118.008 0.367 . . . . 0.62 111.027 -175.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.0 p -55.33 -55.59 29.8 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 118.383 -0.818 . . . . 0.62 112.195 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -63.53 -34.42 77.74 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 120.929 1.695 . . . . 0.68 111.057 178.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.714 ' HG ' HD21 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -75.44 -0.32 19.67 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 116.812 -1.566 . . . . 0.62 111.78 177.69 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.69 -52.44 60.61 Favored Pre-proline 0 C--N 1.356 0.87 0 CA-C-N 123.154 2.706 . . . . 0.62 113.529 -174.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.23 -27.8 48.32 Favored 'Trans proline' 0 C--N 1.364 1.346 0 CA-C-N 123.196 2.177 . . . . 0.53 110.654 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 83.8 m -65.35 -51.05 63.12 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 108.603 -0.888 . . . . 0.82 108.603 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.5 mt -48.35 -42.2 30.76 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 120.035 -0.666 . . . . 0.62 110.606 176.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.63 -36.44 73.45 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 119.391 -0.924 . . . . 0.62 111.342 177.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -58.17 -36.92 73.75 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.545 1.066 . . . . 0.62 110.897 172.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.2 mt -60.89 -36.21 78.64 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 119.879 -0.728 . . . . 0.62 110.979 177.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -70.43 1.99 4.41 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 117.069 -1.443 . . . . 0.76 113.284 174.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 48.81 40.87 17.26 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 122.354 2.343 . . . . 0.68 109.307 -169.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.8 m -126.86 -60.5 1.22 Allowed 'General case' 0 C--N 1.358 0.97 0 CA-C-O 118.032 -0.985 . . . . 0.62 110.349 -178.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -96.46 145.39 17.81 Favored Glycine 0 C--N 1.356 1.683 0 CA-C-O 116.885 -2.064 . . . . 0.62 110.626 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -77.73 163.79 28.64 Favored 'Trans proline' 0 C--N 1.359 1.11 0 CA-C-N 122.621 3.21 . . . . 0.53 111.986 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.9 mt -66.83 -42.1 86.35 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-N 119.068 0.849 . . . . 0.62 110.663 177.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.67 -103.24 0.59 Allowed Glycine 0 C--N 1.351 1.415 0 N-CA-C 109.151 -1.58 . . . . 0.62 109.151 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -122.38 33.0 5.58 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-N 119.31 1.555 . . . . 0.76 109.59 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.4 t -62.75 -46.76 86.58 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 118.836 -1.146 . . . . 0.82 108.202 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.8 m -48.7 -42.94 36.57 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 118.339 -0.839 . . . . 0.82 111.235 -176.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.05 -48.24 87.07 Favored Glycine 0 C--N 1.352 1.445 0 C-N-CA 119.418 -1.373 . . . . 0.62 110.381 176.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.86 -36.44 93.39 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-N 118.607 1.203 . . . . 0.62 112.25 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.7 t -62.64 -55.11 25.83 Favored 'Isoleucine or valine' 0 C--N 1.355 0.815 0 N-CA-C 105.676 -1.972 . . . . 0.62 105.676 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -53.11 -42.53 66.08 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-O 118.886 -0.578 . . . . 0.62 112.126 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.44 -45.55 56.0 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 119.928 -0.709 . . . . 0.62 109.94 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.6 mt -70.25 -38.89 75.24 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.243 -0.884 . . . . 0.62 110.987 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.9 t -52.9 -43.02 45.42 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 CA-C-N 120.107 1.321 . . . . 0.62 109.221 -175.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -49.39 -49.45 44.64 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 119.854 -0.739 . . . . 0.68 111.579 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.1 p -81.67 -48.64 11.45 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 118.609 -0.71 . . . . 0.62 109.42 -177.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.47 46.27 0.01 OUTLIER 'General case' 0 C--N 1.352 0.679 0 N-CA-C 115.931 1.826 . . . . 0.62 115.931 168.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.39 19.46 2.93 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-N 120.458 1.481 . . . . 0.76 112.174 167.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.8 m -106.63 51.8 0.74 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-N 120.389 1.449 . . . . 0.62 109.797 -173.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 m 69.66 -67.74 0.22 Allowed 'General case' 0 C--N 1.353 0.725 0 N-CA-C 113.207 0.817 . . . . 0.62 113.207 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -78.8 -59.41 2.79 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 108.758 -0.83 . . . . 0.71 108.758 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.47 -47.73 19.16 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 116.314 -0.403 . . . . 0.71 110.203 -174.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -44.9 -51.43 9.69 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 114.61 1.337 . . . . 0.76 114.61 172.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -66.41 -36.36 82.64 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 109.62 -0.511 . . . . 0.68 109.62 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.9 mm -61.42 -51.83 68.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 107.577 -1.268 . . . . 0.62 107.577 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.13 -52.76 62.24 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-N 119.142 0.883 . . . . 0.62 110.447 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.587 ' SG ' ' CD1' ' A' ' 79' ' ' TYR . 42.6 m -50.93 -49.68 59.25 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 118.947 -1.101 . . . . 0.82 110.985 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.9 m -60.7 -49.78 76.12 Favored 'General case' 0 C--N 1.351 0.633 0 N-CA-C 107.987 -1.116 . . . . 0.62 107.987 -173.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 88.9 m -60.31 -47.63 85.2 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-O 118.697 -0.668 . . . . 0.82 111.952 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.714 HD21 ' HG ' ' A' ' 11' ' ' LEU . 11.4 mt -63.53 -46.3 86.62 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 118.578 0.626 . . . . 0.62 109.875 -176.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -46.62 -51.1 16.5 Favored 'General case' 0 C--N 1.346 0.437 0 C-N-CA 120.178 -0.609 . . . . 0.62 109.971 176.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.5 p -70.61 -37.42 73.85 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 118.054 -0.974 . . . . 0.62 111.797 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.4 81.5 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 120.598 1.545 . . . . 0.62 109.958 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.13 -49.07 68.76 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.824 -1.176 . . . . 0.62 107.824 176.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.57 73.95 0.23 Allowed Glycine 0 C--N 1.354 1.535 0 CA-C-N 119.646 1.112 . . . . 0.62 111.088 177.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -175.89 -52.35 0.01 OUTLIER 'General case' 0 C--N 1.355 0.814 0 CA-C-N 118.001 0.901 . . . . 0.62 109.679 -176.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.6 mm -42.96 134.13 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.866 0 CA-C-O 117.865 -1.064 . . . . 0.62 110.372 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.9 t -79.07 -52.99 7.45 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 120.426 1.466 . . . . 0.62 111.395 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.38 44.27 3.27 Favored Glycine 0 C--N 1.357 1.697 0 CA-C-N 119.921 1.237 . . . . 0.62 112.639 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.8 tt -76.98 137.33 22.69 Favored 'Isoleucine or valine' 0 C--N 1.352 0.692 0 CA-C-N 119.19 1.495 . . . . 0.62 110.665 -178.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -104.03 120.22 40.61 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 107.142 -1.429 . . . . 0.68 107.142 170.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 tp -57.75 -44.91 86.43 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.949 1.25 . . . . 0.62 109.951 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.87 -40.83 65.86 Favored Glycine 0 C--N 1.354 1.563 0 C-N-CA 119.393 -1.384 . . . . 0.62 111.604 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -72.07 -40.64 68.14 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 118.581 1.19 . . . . 0.62 109.434 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.45 -48.87 78.02 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.244 0.929 . . . . 0.62 110.099 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.87 -22.28 61.54 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 119.377 0.99 . . . . 0.62 111.242 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -84.18 -15.96 68.21 Favored Glycine 0 C--N 1.357 1.737 0 CA-C-O 118.096 -1.391 . . . . 0.62 113.41 173.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.6 tp -58.02 -46.76 99.67 Favored Pre-proline 0 C--N 1.353 0.742 0 CA-C-N 120.792 2.296 . . . . 0.62 112.005 -176.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -60.14 -42.89 39.5 Favored 'Trans proline' 0 CA--C 1.502 -1.079 0 CA-C-N 122.474 1.919 . . . . 0.53 111.691 173.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -60.2 -42.55 95.33 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 119.608 -0.837 . . . . 0.62 109.07 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.5 m -64.57 -50.18 68.26 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 107.068 -1.456 . . . . 0.62 107.068 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 82.4 m -89.49 66.07 7.24 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 107.973 -1.121 . . . . 0.82 107.973 173.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.02 109.12 0.12 Allowed Glycine 0 C--N 1.352 1.467 0 CA-C-O 117.726 -1.597 . . . . 0.62 113.005 -177.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 13.0 m -145.36 157.22 13.29 Favored 'Isoleucine or valine' 0 C--N 1.356 0.89 0 CA-C-N 119.681 1.74 . . . . 0.62 110.927 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -82.31 64.69 7.09 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 118.355 0.525 . . . . 0.68 111.707 -176.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 47.7 pt -102.63 133.65 20.35 Favored Pre-proline 0 C--N 1.356 0.868 0 CA-C-O 116.922 -1.513 . . . . 0.62 110.478 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -86.67 55.43 3.3 Favored 'Trans proline' 0 C--N 1.362 1.276 0 CA-C-N 123.28 2.207 . . . . 0.53 112.025 177.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.587 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 18.4 p90 -175.52 146.55 0.79 Allowed 'General case' 0 C--N 1.354 0.77 0 CA-C-O 115.859 -2.019 . . . . 0.62 108.85 178.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -100.46 29.63 4.31 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-N 121.661 2.028 . . . . 0.62 112.912 -176.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.455 HG22 ' O ' ' A' ' 81' ' ' ILE . 17.3 mt 50.1 39.55 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.702 0 O-C-N 121.269 -0.894 . . . . 0.62 111.16 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 28.2 t -94.78 131.27 30.91 Favored Pre-proline 0 C--N 1.353 0.721 0 CA-C-O 115.823 -2.037 . . . . 0.62 108.821 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -51.25 -32.02 39.24 Favored 'Trans proline' 0 C--N 1.362 1.276 0 CA-C-N 123.744 2.373 . . . . 0.53 114.018 175.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -85.19 -9.31 57.96 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.269 -1.348 . . . . 0.62 114.07 -176.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.5 m -81.17 118.16 22.32 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 121.321 1.873 . . . . 0.62 109.798 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -74.83 129.48 37.76 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 120.079 1.308 . . . . 0.71 109.457 173.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 4.0 t . . . . . 0 C--N 1.352 0.697 0 CA-C-N 119.129 0.877 . . . . 0.82 109.599 172.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.513 HD13 HG12 ' A' ' 46' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.913 -1.041 . . . . 0.62 109.96 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.7 p -136.18 157.5 46.67 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 120.26 1.391 . . . . 0.62 111.484 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.4 t -64.53 -29.49 70.52 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 117.901 -1.047 . . . . 0.82 111.843 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.35 -42.44 64.32 Favored Glycine 0 C--N 1.353 1.475 0 CA-C-N 119.505 1.048 . . . . 0.62 113.111 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -62.68 -46.28 88.9 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 118.389 1.095 . . . . 0.68 109.876 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 66.0 t -65.8 -43.33 93.37 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 N-CA-C 107.608 -1.256 . . . . 0.62 107.608 -176.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.652 HG23 HD11 ' A' ' 15' ' ' LEU . 93.3 m -62.22 -47.2 85.49 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 108.004 -1.11 . . . . 0.62 108.004 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.1 t -56.67 -47.5 79.69 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 120.726 -0.39 . . . . 0.62 109.998 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -55.1 -42.81 73.38 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 120.248 -0.581 . . . . 0.68 110.801 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 mp -96.79 24.67 5.87 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 118.531 -0.747 . . . . 0.62 112.93 -177.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.52 -51.9 77.53 Favored Pre-proline 0 C--N 1.353 0.752 0 CA-C-N 120.227 1.376 . . . . 0.62 112.241 -174.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.35 -30.95 36.03 Favored 'Trans proline' 0 C--N 1.362 1.281 0 CA-C-N 122.854 2.055 . . . . 0.53 110.929 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.6 m -61.26 -39.59 90.9 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 119.696 -0.802 . . . . 0.82 109.293 178.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.652 HD11 HG23 ' A' ' 8' ' ' THR . 77.9 mt -56.31 -44.4 79.87 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.788 1.176 . . . . 0.62 109.086 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.99 -47.17 81.38 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 120.02 -0.672 . . . . 0.62 109.293 176.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -50.53 -43.27 55.94 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 120.116 1.325 . . . . 0.62 111.279 176.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.1 mt -50.48 -39.33 47.85 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.939 -0.704 . . . . 0.62 111.046 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.0 ttt-85 -88.29 27.62 1.21 Allowed 'General case' 0 C--N 1.353 0.754 0 CA-C-O 118.466 -0.778 . . . . 0.76 111.475 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 44.93 49.36 9.22 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-N 120.877 1.671 . . . . 0.68 111.978 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -137.87 -53.7 0.65 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-O 118.158 -0.925 . . . . 0.62 112.859 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -99.97 145.39 17.35 Favored Glycine 0 C--N 1.356 1.644 0 CA-C-O 115.498 -2.834 . . . . 0.62 109.919 -176.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -71.66 -173.64 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.138 1 CA-C-N 125.122 4.461 . . . . 0.53 112.219 177.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -78.48 -43.23 27.54 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 108.572 -0.899 . . . . 0.62 108.572 175.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.68 -128.56 45.19 Favored Glycine 0 C--N 1.353 1.505 0 CA-C-O 118.203 -1.332 . . . . 0.62 111.194 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -90.07 14.25 12.86 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 119.261 1.53 . . . . 0.76 112.114 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.9 t -53.02 -43.24 66.37 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 120.306 1.412 . . . . 0.82 109.689 174.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 82.6 m -52.31 -40.59 62.06 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.826 -0.749 . . . . 0.82 112.779 -175.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.03 -39.8 96.18 Favored Glycine 0 C--N 1.35 1.349 0 C-N-CA 119.184 -1.484 . . . . 0.62 110.499 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.17 -36.46 91.85 Favored Glycine 0 C--N 1.349 1.265 0 C-N-CA 119.921 -1.133 . . . . 0.62 111.915 175.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.562 HG12 HG21 ' A' ' 75' ' ' VAL . 40.6 t -62.11 -44.25 98.78 Favored 'Isoleucine or valine' 0 C--N 1.352 0.679 0 N-CA-C 106.582 -1.636 . . . . 0.62 106.582 177.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -53.68 -45.33 70.29 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 118.524 -0.751 . . . . 0.62 110.309 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.17 -43.44 67.06 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 119.739 1.154 . . . . 0.62 110.083 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 mt -56.9 -33.77 67.23 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 118.665 -1.214 . . . . 0.62 112.631 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.4 t -54.71 -52.56 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.698 0 CA-C-N 120.723 1.601 . . . . 0.62 108.696 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -68.84 -39.4 79.98 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 119.542 -0.863 . . . . 0.68 109.29 -177.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.8 t -65.56 -67.3 0.45 Allowed 'General case' 0 C--N 1.356 0.853 0 N-CA-C 106.812 -1.551 . . . . 0.62 106.812 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.39 -48.19 13.53 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 118.264 0.483 . . . . 0.62 110.704 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.7 -12.48 0.07 Allowed 'General case' 0 C--N 1.349 0.577 0 CA-C-O 116.777 -1.582 . . . . 0.76 114.749 -177.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.1 m -88.07 39.21 0.89 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-N 121.362 1.892 . . . . 0.62 111.217 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.1 m 59.03 -80.59 0.02 OUTLIER 'General case' 0 C--N 1.356 0.852 0 CA-C-N 120.444 1.475 . . . . 0.62 114.911 172.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.15 -48.83 72.15 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 107.821 -1.177 . . . . 0.71 107.821 -173.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.61 -37.97 8.92 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-O 118.827 -0.606 . . . . 0.71 111.463 175.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.4 ttp-105 -69.38 -40.83 77.18 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 119.483 1.038 . . . . 0.76 112.681 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -56.11 -43.81 78.46 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 107.833 -1.173 . . . . 0.68 107.833 176.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.513 HG12 HD13 ' A' ' 2' ' ' ILE . 1.4 mp -62.73 -50.55 79.29 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 CA-C-O 118.615 -0.707 . . . . 0.62 110.04 174.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.11 -50.89 68.08 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 119.915 1.234 . . . . 0.62 110.408 -176.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.9 m -57.52 -48.19 79.94 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 119.238 -0.985 . . . . 0.82 109.738 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 46.9 m -60.28 -47.44 85.99 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 107.479 -1.304 . . . . 0.62 107.479 -174.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 44.7 t -60.08 -45.71 91.99 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 115.383 -0.826 . . . . 0.82 111.728 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.7 mt -70.75 -45.94 63.89 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 109.366 -0.605 . . . . 0.62 109.366 -175.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -54.68 -42.73 71.75 Favored 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 120.756 -0.378 . . . . 0.62 110.149 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.2 m -67.73 -47.67 68.65 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 120.018 -0.673 . . . . 0.62 109.599 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.93 -63.58 1.1 Allowed 'General case' 0 C--N 1.353 0.728 0 N-CA-C 109.41 -0.589 . . . . 0.62 109.41 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.01 -41.38 78.42 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 120.456 -0.498 . . . . 0.62 109.796 -176.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.45 -35.6 73.0 Favored Glycine 0 C--N 1.353 1.513 0 C-N-CA 120.358 -0.925 . . . . 0.62 112.796 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.69 -33.88 74.72 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 119.099 1.449 . . . . 0.62 111.64 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 30.9 mm -69.43 125.31 27.18 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 N-CA-C 108.058 -1.09 . . . . 0.62 108.058 -175.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.4 m -75.56 -51.77 12.13 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-N 120.453 1.479 . . . . 0.62 111.177 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.59 50.71 4.29 Favored Glycine 0 C--N 1.354 1.549 0 CA-C-N 119.535 1.061 . . . . 0.62 110.656 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -85.15 136.32 23.02 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 CA-C-O 117.655 -1.164 . . . . 0.62 109.039 -174.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -104.92 118.98 37.89 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-N 119.831 1.196 . . . . 0.68 109.001 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 66.2 tp -56.9 -44.67 82.57 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 118.508 0.595 . . . . 0.62 110.057 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.08 -38.03 65.14 Favored Glycine 0 C--N 1.354 1.541 0 C-N-CA 119.965 -1.112 . . . . 0.62 112.2 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -72.09 -47.3 52.37 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.038 1.419 . . . . 0.62 109.676 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.7 -53.88 17.06 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 119.804 1.184 . . . . 0.62 110.997 173.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.12 -20.04 63.2 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-O 118.434 -0.793 . . . . 0.62 113.054 175.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.2 -26.03 67.21 Favored Glycine 0 C--N 1.35 1.352 0 CA-C-N 120.485 1.493 . . . . 0.62 113.338 173.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 58.9 mt -51.36 -51.91 64.42 Favored Pre-proline 0 C--N 1.349 0.586 0 CA-C-N 120.42 2.11 . . . . 0.62 113.284 -178.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 37.1 Cg_endo -59.24 -23.43 69.57 Favored 'Trans proline' 0 C--N 1.366 1.453 0 CA-C-N 124.908 2.789 . . . . 0.53 112.037 175.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.0 t -81.5 -54.7 5.22 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 120.199 1.363 . . . . 0.62 109.214 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.2 m -60.86 -47.69 85.22 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 109.762 -0.458 . . . . 0.62 109.762 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 82.3 m -93.9 74.57 4.19 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 106.287 -1.746 . . . . 0.82 106.287 172.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -50.14 114.69 2.64 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-O 118.454 -1.192 . . . . 0.62 112.375 176.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.562 HG21 HG12 ' A' ' 31' ' ' VAL . 17.5 m -144.72 -151.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-O 116.784 -1.579 . . . . 0.62 106.917 178.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -131.32 51.63 2.13 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 122.294 2.316 . . . . 0.68 110.301 176.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.2 pt -81.11 128.91 69.23 Favored Pre-proline 0 C--N 1.359 0.986 0 CA-C-O 114.596 -2.621 . . . . 0.62 107.586 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -71.38 38.5 0.34 Allowed 'Trans proline' 0 C--N 1.367 1.535 0 CA-C-N 126.85 3.482 . . . . 0.53 116.252 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -163.44 163.76 24.77 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 120.98 1.718 . . . . 0.62 109.058 -177.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . 0.279 19.4 ptmt -108.11 17.49 22.25 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.289 0.993 . . . . 0.62 112.37 -178.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 6.6 mt 61.25 34.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 107.546 -1.279 . . . . 0.62 107.546 170.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.7 m -89.47 135.2 31.29 Favored Pre-proline 0 C--N 1.35 0.595 0 CA-C-O 115.286 -2.292 . . . . 0.62 109.291 -175.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -71.54 68.98 2.78 Favored 'Trans proline' 0 C--N 1.361 1.225 0 CA-C-N 122.989 2.103 . . . . 0.53 112.48 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.9 m -169.37 -51.67 0.02 OUTLIER 'General case' 0 C--N 1.351 0.631 0 N-CA-C 108.481 -0.933 . . . . 0.62 108.481 -174.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.2 m -33.19 112.0 0.11 Allowed 'General case' 0 C--N 1.356 0.879 0 O-C-N 123.981 0.8 . . . . 0.62 111.649 172.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -89.8 132.08 35.42 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 107.304 -1.369 . . . . 0.71 107.304 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 63.7 m . . . . . 0 C--N 1.353 0.736 0 CA-C-N 120.287 1.403 . . . . 0.82 108.734 175.749 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.509 -0.615 0 CA-C-O 119.037 -0.506 . . . . 0.62 110.116 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 m -164.88 135.56 3.98 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 117.821 -1.085 . . . . 0.62 109.892 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 83.0 m -58.32 -33.73 69.82 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 121.19 1.814 . . . . 0.82 110.076 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -41.49 -47.67 4.72 Favored Glycine 0 C--N 1.349 1.289 0 C-N-CA 120.362 -0.923 . . . . 0.62 113.487 169.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -61.51 -40.42 94.55 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 118.869 1.334 . . . . 0.68 108.81 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.41 ' HA ' HD21 ' A' ' 34' ' ' LEU . 58.6 t -72.23 -55.43 13.3 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 N-CA-C 108.008 -1.108 . . . . 0.62 108.008 -168.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.8 t -54.41 -39.28 67.13 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 121.309 -0.87 . . . . 0.62 111.471 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.1 p -69.33 -49.11 58.68 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 119.167 0.894 . . . . 0.62 109.76 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -56.87 -37.24 71.06 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 120.042 1.292 . . . . 0.68 111.112 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.57 HD11 HD23 ' A' ' 51' ' ' LEU . 97.5 mt -70.75 0.99 5.94 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 116.288 -1.815 . . . . 0.62 113.921 177.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.425 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -41.28 -53.03 7.13 Favored Pre-proline 0 C--N 1.356 0.869 0 CA-C-N 122.53 2.423 . . . . 0.62 113.887 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.425 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 9.8 Cg_exo -77.63 -22.83 10.25 Favored 'Trans proline' 0 C--N 1.356 0.951 0 CA-C-N 123.168 2.167 . . . . 0.53 112.103 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.3 m -71.58 -55.77 7.16 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 107.747 -1.205 . . . . 0.82 107.747 -177.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 pp -45.12 -38.61 5.25 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.762 -0.775 . . . . 0.62 111.403 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.98 -45.39 81.83 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.872 -0.731 . . . . 0.62 109.163 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -58.71 -46.19 87.88 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 120.593 0.235 . . . . 0.62 111.018 175.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.8 mt -60.68 -29.95 69.62 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 121.139 -0.976 . . . . 0.62 111.046 -177.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -72.3 4.08 4.05 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.282 -1.342 . . . . 0.76 114.104 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 57.15 34.42 24.83 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 122.352 2.342 . . . . 0.68 110.218 -172.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.7 m -127.71 -63.37 1.03 Allowed 'General case' 0 C--N 1.357 0.898 0 CA-C-O 118.432 -0.794 . . . . 0.62 110.498 -177.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.91 167.89 32.32 Favored Glycine 0 C--N 1.354 1.558 0 CA-C-O 117.311 -1.827 . . . . 0.62 111.043 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -88.82 -178.66 1.97 Allowed 'Trans proline' 0 C--N 1.358 1.03 0 CA-C-N 121.322 2.561 . . . . 0.53 113.285 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -50.08 -51.72 40.44 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 112.191 0.441 . . . . 0.62 112.191 176.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.38 -130.66 51.32 Favored Glycine 0 C--N 1.348 1.242 0 CA-C-O 117.744 -1.587 . . . . 0.62 110.72 -177.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.2 mtm-85 -95.2 26.76 3.57 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 120.324 2.062 . . . . 0.76 110.557 177.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 27.0 t -58.97 -48.2 82.39 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 119.572 1.078 . . . . 0.82 108.459 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.1 t -59.95 -39.06 84.28 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 119.157 -1.017 . . . . 0.82 110.869 -175.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.34 -46.2 94.38 Favored Glycine 0 C--N 1.353 1.483 0 N-CA-C 109.874 -1.291 . . . . 0.62 109.874 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.71 -50.55 64.47 Favored Glycine 0 C--N 1.351 1.414 0 C-N-CA 119.303 -1.427 . . . . 0.62 110.037 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.414 ' HA ' HD12 ' A' ' 34' ' ' LEU . 98.0 t -56.3 -51.22 66.17 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 N-CA-C 107.217 -1.401 . . . . 0.62 107.217 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -49.69 -46.19 49.75 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 119.154 0.888 . . . . 0.62 111.18 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.57 -37.66 65.76 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 120.088 -0.645 . . . . 0.62 110.764 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 31' ' ' VAL . 21.7 mt -72.05 -38.23 69.52 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 109.962 -0.384 . . . . 0.62 109.962 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.9 t -50.08 -48.0 23.79 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 N-CA-C 107.755 -1.202 . . . . 0.62 107.755 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -57.89 -40.94 81.48 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 118.406 -0.807 . . . . 0.68 110.64 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.1 m -98.9 38.97 1.31 Allowed 'General case' 0 C--N 1.357 0.906 0 CA-C-N 118.71 0.686 . . . . 0.62 109.408 173.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -150.33 48.64 0.9 Allowed 'General case' 0 C--N 1.355 0.83 0 C-N-CA 119.841 -0.744 . . . . 0.62 109.884 175.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.85 -46.5 0.36 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-O 117.275 -1.345 . . . . 0.76 112.298 179.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.8 p -60.88 72.4 0.01 OUTLIER 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.987 1.267 . . . . 0.62 111.794 172.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.0 m 46.6 -83.06 0.01 OUTLIER 'General case' 0 C--N 1.354 0.774 0 N-CA-C 116.346 1.98 . . . . 0.62 116.346 169.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -65.93 -46.2 79.09 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 120.791 1.632 . . . . 0.71 106.633 -175.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -51.7 -50.64 60.11 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.248 -0.981 . . . . 0.71 109.972 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -51.03 48.6 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 112.749 0.648 . . . . 0.76 112.749 174.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -66.09 -42.67 89.01 Favored 'General case' 0 CA--C 1.513 -0.47 0 O-C-N 121.178 -0.951 . . . . 0.68 111.295 -174.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.7 mm -66.15 -47.74 83.7 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 108.219 -1.03 . . . . 0.62 108.219 -177.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.0 -52.37 65.53 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.621 1.101 . . . . 0.62 108.337 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.415 ' C ' ' SG ' ' A' ' 87' ' ' CYS . 26.9 t -51.88 -41.24 61.75 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 118.926 -0.559 . . . . 0.82 111.317 176.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 90.7 m -65.27 -45.56 84.01 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.463 1.029 . . . . 0.62 109.839 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.0 m -66.14 -39.89 90.18 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 121.057 -1.027 . . . . 0.82 111.014 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.57 HD23 HD11 ' A' ' 11' ' ' LEU . 49.8 mt -60.9 -45.84 93.0 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 107.81 -1.181 . . . . 0.62 107.81 178.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -52.98 -43.99 66.83 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 109.666 -0.494 . . . . 0.62 109.666 175.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.2 m -66.51 -44.97 81.09 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-O 119.346 -0.359 . . . . 0.62 110.624 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.71 -50.03 69.3 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 109.017 -0.734 . . . . 0.62 109.017 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.3 -47.69 78.17 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 119.093 -1.043 . . . . 0.62 108.616 -177.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.72 -36.81 88.07 Favored Glycine 0 C--N 1.356 1.668 0 C-N-CA 120.171 -1.014 . . . . 0.62 112.822 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.81 -39.18 84.01 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.313 1.557 . . . . 0.62 112.464 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.2 mt -71.95 131.82 34.16 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 CA-C-O 118.452 -0.785 . . . . 0.62 110.3 -172.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 m -73.69 -54.57 7.8 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 120.015 1.28 . . . . 0.62 112.728 -175.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -89.34 41.35 3.02 Favored Glycine 0 C--N 1.356 1.662 0 CA-C-N 119.714 1.143 . . . . 0.62 112.004 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.41 122.25 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.745 0 CA-C-N 118.129 0.964 . . . . 0.62 110.533 -175.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -89.34 118.22 28.86 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 120.099 1.318 . . . . 0.68 108.664 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.4 tt -55.25 -52.97 61.7 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 118.717 0.689 . . . . 0.62 109.455 -175.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.18 -39.47 81.21 Favored Glycine 0 C--N 1.351 1.39 0 C-N-CA 120.0 -1.095 . . . . 0.62 114.255 -175.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 69' ' ' LEU . 50.8 mttp -70.22 -47.05 63.16 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 119.023 1.412 . . . . 0.62 107.43 -179.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.34 -58.76 6.49 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 119.831 -0.748 . . . . 0.62 110.555 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.63 -39.7 71.17 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 118.416 0.553 . . . . 0.62 112.13 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -85.69 -3.59 85.98 Favored Glycine 0 C--N 1.352 1.46 0 CA-C-O 118.624 -1.098 . . . . 0.62 113.469 176.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.45 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 34.8 tp -50.16 -47.82 81.07 Favored Pre-proline 0 C--N 1.351 0.662 0 CA-C-N 120.042 1.921 . . . . 0.62 112.542 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 31.2 Cg_endo -59.46 -27.61 85.42 Favored 'Trans proline' 0 C--N 1.364 1.362 0 CA-C-N 124.214 2.541 . . . . 0.53 112.61 177.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.3 m -70.71 -47.33 60.36 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 119.181 -1.008 . . . . 0.62 109.15 176.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.9 m -58.26 -49.22 77.89 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.847 -0.741 . . . . 0.62 109.391 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 40.1 t -100.6 79.32 2.08 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 106.737 -1.579 . . . . 0.82 106.737 173.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -34.44 110.29 0.06 OUTLIER Glycine 0 C--N 1.353 1.479 0 CA-C-O 117.895 -1.503 . . . . 0.62 113.448 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.4 m -142.23 154.2 18.57 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 CA-C-N 119.478 1.639 . . . . 0.62 109.591 176.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -90.47 54.27 2.68 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.931 1.241 . . . . 0.68 111.405 -175.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.494 HD12 ' CE1' ' A' ' 79' ' ' TYR . 31.0 pt -91.42 123.87 62.73 Favored Pre-proline 0 C--N 1.353 0.754 0 CA-C-O 115.502 -2.189 . . . . 0.62 107.275 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -90.34 61.13 1.66 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 CA-C-N 125.06 2.843 . . . . 0.53 109.539 176.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.494 ' CE1' HD12 ' A' ' 77' ' ' ILE . 27.6 p90 -161.8 158.01 24.99 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 118.674 -0.679 . . . . 0.62 109.792 172.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -98.47 143.04 29.33 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 107.598 -1.26 . . . . 0.62 107.598 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 93.0 mt -85.15 74.84 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.721 0 N-CA-C 106.18 -1.785 . . . . 0.62 106.18 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.1 m -125.72 142.73 42.92 Favored Pre-proline 0 C--N 1.359 0.98 0 CA-C-O 115.566 -2.159 . . . . 0.62 110.936 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -73.7 67.55 4.69 Favored 'Trans proline' 0 C--N 1.361 1.212 0 CA-C-N 124.085 2.495 . . . . 0.53 110.271 176.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.9 t -163.1 -59.74 0.04 OUTLIER 'General case' 0 C--N 1.355 0.804 0 CA-C-N 118.077 0.399 . . . . 0.62 110.678 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.9 t -44.72 145.57 0.89 Allowed 'General case' 0 C--N 1.356 0.863 0 CA-C-O 118.913 -0.565 . . . . 0.62 112.345 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -86.49 152.95 22.23 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 118.978 0.808 . . . . 0.71 109.162 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.415 ' SG ' ' C ' ' A' ' 48' ' ' CYS . 61.4 m . . . . . 0 C--N 1.356 0.876 0 CA-C-N 118.146 0.43 . . . . 0.82 110.545 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.284 0 CA-C-O 117.683 -1.151 . . . . 0.62 110.637 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.743 HD13 HG13 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -77.77 142.9 13.55 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 CA-C-O 118.065 -0.969 . . . . 0.62 108.502 -178.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -155.33 142.68 19.47 Favored 'General case' 0 C--N 1.36 1.022 0 CA-C-N 120.325 1.42 . . . . 0.62 111.251 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.3 t -55.06 -35.83 64.95 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.399 1.454 . . . . 0.82 112.302 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -48.55 -43.88 28.71 Favored Glycine 0 C--N 1.353 1.48 0 CA-C-N 119.51 1.05 . . . . 0.62 113.315 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -70.12 -42.9 72.0 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 108.065 -1.087 . . . . 0.68 108.065 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 52.6 t -63.55 -48.72 85.59 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 C-N-CA 119.995 -0.682 . . . . 0.62 110.114 -175.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.3 t -63.06 -21.85 66.45 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 113.171 0.804 . . . . 0.62 113.171 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m -64.45 -49.51 71.16 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 119.503 1.047 . . . . 0.62 108.249 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -60.84 -30.34 70.05 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.582 -0.723 . . . . 0.68 112.184 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.672 HD11 HD23 ' A' ' 51' ' ' LEU . 59.7 mt -70.94 -4.71 26.01 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-O 115.735 -2.078 . . . . 0.62 112.899 178.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' LEU . . . -40.71 -49.5 7.32 Favored Pre-proline 0 C--N 1.356 0.851 0 CA-C-N 122.273 2.306 . . . . 0.62 112.857 -175.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -72.95 -30.42 11.06 Favored 'Trans proline' 0 C--N 1.36 1.145 0 CA-C-N 122.935 2.084 . . . . 0.53 112.074 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.6 m -66.6 -50.63 62.42 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 108.21 -1.033 . . . . 0.82 108.21 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.458 HD22 HD11 ' A' ' 58' ' ' ILE . 79.1 mt -42.39 -41.34 2.83 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 118.139 0.427 . . . . 0.62 110.303 -179.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.36 -47.35 64.6 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 121.503 -0.748 . . . . 0.62 110.413 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -58.07 -39.22 77.98 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 121.756 -0.59 . . . . 0.62 112.398 175.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.5 mt -56.94 -36.08 69.83 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 118.814 -0.613 . . . . 0.62 110.486 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -81.61 11.25 4.87 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-O 118.008 -0.996 . . . . 0.76 112.25 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.4 t30 49.56 49.26 20.25 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 120.969 1.713 . . . . 0.68 110.853 -175.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 t -140.9 -51.18 0.45 Allowed 'General case' 0 C--N 1.356 0.858 0 CA-C-O 117.302 -1.333 . . . . 0.62 113.605 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.94 157.31 19.2 Favored Glycine 0 C--N 1.357 1.709 0 CA-C-N 121.316 1.871 . . . . 0.62 108.869 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -71.18 165.5 32.21 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 CA-C-N 120.54 2.17 . . . . 0.53 112.632 -175.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.6 mp -62.15 -44.43 96.63 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.487 -0.768 . . . . 0.62 109.671 177.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 53.93 -119.96 13.21 Favored Glycine 0 C--N 1.35 1.351 0 CA-C-O 117.749 -1.584 . . . . 0.62 110.658 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -89.63 23.43 2.65 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.266 2.033 . . . . 0.76 112.451 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.8 t -60.61 -46.88 88.62 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 121.349 1.886 . . . . 0.82 108.799 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.0 m -60.73 -46.02 92.05 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 118.725 -1.19 . . . . 0.82 110.376 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.69 -44.55 96.82 Favored Glycine 0 C--N 1.351 1.412 0 C-N-CA 119.486 -1.34 . . . . 0.62 111.238 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.48 -51.99 55.51 Favored Glycine 0 C--N 1.35 1.355 0 C-N-CA 119.508 -1.33 . . . . 0.62 110.059 178.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.71 -48.48 88.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 C-N-CA 119.516 -0.874 . . . . 0.62 109.144 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -42.15 -45.8 4.15 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 118.565 0.621 . . . . 0.62 110.953 175.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.47 81.79 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 119.568 -0.853 . . . . 0.62 109.257 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.6 mt -55.16 -46.98 75.76 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-O 118.075 -0.964 . . . . 0.62 109.359 -177.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.7 t -39.61 -49.02 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.687 0 CA-C-N 118.474 0.579 . . . . 0.62 110.162 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -61.68 -42.64 99.19 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 118.88 0.764 . . . . 0.68 110.031 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.5 t -84.31 33.63 0.51 Allowed 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.821 -0.609 . . . . 0.62 110.535 169.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.13 33.16 1.1 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-N 119.302 0.956 . . . . 0.62 112.021 174.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.2 mmm-85 -129.58 -14.91 4.08 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 116.278 -1.82 . . . . 0.76 115.395 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -77.85 47.31 0.62 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-N 122.978 2.627 . . . . 0.62 111.172 176.488 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 62.5 m 62.84 -62.3 0.12 Allowed 'General case' 0 C--N 1.357 0.916 0 N-CA-C 115.329 1.603 . . . . 0.62 115.329 174.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' THR . 53.9 mt-10 -84.52 -50.91 7.3 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 119.86 1.209 . . . . 0.71 108.949 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -42.42 -49.04 5.27 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.746 1.157 . . . . 0.71 109.897 173.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.463 ' CZ ' HG12 ' A' ' 90' ' ' VAL . 56.5 ttp180 -49.27 -54.56 16.27 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 113.233 0.827 . . . . 0.76 113.233 171.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -58.77 -42.92 90.11 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 119.643 -0.823 . . . . 0.68 109.825 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.743 HG13 HD13 ' A' ' 2' ' ' ILE . 44.3 mm -58.25 -48.99 83.3 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 C-N-CA 119.27 -0.972 . . . . 0.62 109.795 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.96 -50.9 71.8 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 119.316 -0.954 . . . . 0.62 110.019 177.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 82.7 m -50.06 -54.55 19.62 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 120.252 1.387 . . . . 0.82 110.35 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.4 t -62.61 -39.89 95.21 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 119.654 -0.819 . . . . 0.62 110.057 -175.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 41.3 t -62.22 -42.78 99.62 Favored 'General case' 0 CA--C 1.504 -0.805 0 C-N-CA 119.347 -0.941 . . . . 0.82 110.374 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.672 HD23 HD11 ' A' ' 11' ' ' LEU . 11.9 mt -67.35 -50.29 60.49 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 119.22 -0.992 . . . . 0.62 109.062 -177.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -47.1 -46.38 22.79 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 109.059 -0.719 . . . . 0.62 109.059 175.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.0 m -63.21 -44.49 95.18 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 119.688 -0.805 . . . . 0.62 109.379 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.97 -53.84 50.51 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.895 0.771 . . . . 0.62 109.309 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.09 -52.13 53.3 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.999 -0.68 . . . . 0.62 109.902 177.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.07 -32.57 59.85 Favored Glycine 0 C--N 1.353 1.484 0 C-N-CA 119.777 -1.202 . . . . 0.62 112.666 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.25 -37.79 84.1 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 119.144 1.472 . . . . 0.62 111.168 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.458 HD11 HD22 ' A' ' 15' ' ' LEU . 16.9 mm -63.56 139.46 21.26 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 118.718 0.69 . . . . 0.62 111.024 -175.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.8 p -74.79 -74.55 0.19 Allowed 'General case' 0 C--N 1.36 1.03 0 CA-C-N 119.149 0.886 . . . . 0.62 111.759 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.24 51.95 3.98 Favored Glycine 0 C--N 1.353 1.493 0 CA-C-N 119.828 1.195 . . . . 0.62 111.914 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.29 131.85 33.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.625 0 CA-C-O 118.059 -0.972 . . . . 0.62 112.391 -171.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -93.63 109.16 20.8 Favored 'General case' 0 C--N 1.358 0.948 0 N-CA-C 107.73 -1.211 . . . . 0.68 107.73 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.1 mt -62.33 -42.36 99.32 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 119.011 0.823 . . . . 0.62 110.365 -173.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.42 -44.9 96.28 Favored Glycine 0 C--N 1.351 1.387 0 C-N-CA 119.783 -1.198 . . . . 0.62 111.816 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 69' ' ' LEU . 65.3 mttm -68.48 -39.92 81.16 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 119.31 1.555 . . . . 0.62 109.547 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.38 -56.62 18.06 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 119.31 0.959 . . . . 0.62 109.735 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.32 -34.8 75.85 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.997 -1.064 . . . . 0.62 110.63 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -89.04 -0.9 80.3 Favored Glycine 0 C--N 1.356 1.693 0 CA-C-O 118.257 -1.301 . . . . 0.62 114.566 177.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' LYS . 10.4 tp -48.95 -54.88 23.84 Favored Pre-proline 0 C--N 1.352 0.704 0 CA-C-N 120.774 2.287 . . . . 0.62 111.9 174.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.545 ' HB3' HD11 ' A' ' 77' ' ' ILE . 56.1 Cg_endo -65.02 -29.46 57.06 Favored 'Trans proline' 0 C--N 1.358 1.067 0 CA-C-N 123.934 2.441 . . . . 0.53 109.041 -175.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.3 t -65.19 -39.65 93.13 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.648 1.113 . . . . 0.62 108.684 176.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 50.4 m -69.4 -49.85 51.45 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 108.42 -0.956 . . . . 0.62 108.42 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 74' ' ' GLY . 97.5 m -90.54 70.19 6.84 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-O 116.746 -1.597 . . . . 0.82 107.822 172.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 73' ' ' CYS . . . -29.01 110.45 0.03 OUTLIER Glycine 0 C--N 1.349 1.258 0 CA-C-N 120.587 1.54 . . . . 0.62 114.64 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -143.25 152.7 16.7 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 CA-C-N 119.527 1.663 . . . . 0.62 109.625 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -89.22 63.46 6.55 Favored 'General case' 0 C--N 1.36 1.055 0 CA-C-O 117.87 -1.062 . . . . 0.68 111.404 -175.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.545 HD11 ' HB3' ' A' ' 70' ' ' PRO . 22.2 pt -102.67 126.77 31.87 Favored Pre-proline 0 C--N 1.352 0.703 0 CA-C-O 116.727 -1.606 . . . . 0.62 109.118 175.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -87.99 58.99 3.03 Favored 'Trans proline' 0 C--N 1.359 1.081 0 CA-C-N 123.562 2.308 . . . . 0.53 111.219 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.454 ' CE2' ' HB ' ' A' ' 77' ' ' ILE . 51.2 p90 -169.07 151.91 4.93 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 117.354 -1.307 . . . . 0.62 107.588 172.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -95.35 148.81 22.04 Favored 'General case' 0 C--N 1.35 0.619 0 N-CA-C 107.537 -1.282 . . . . 0.62 107.537 -175.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.402 HG23 ' HB3' ' A' ' 51' ' ' LEU . 27.0 mt -90.45 83.84 2.15 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 N-CA-C 107.113 -1.44 . . . . 0.62 107.113 -171.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.3 p -150.4 144.84 17.83 Favored Pre-proline 0 C--N 1.357 0.896 0 CA-C-O 116.916 -1.516 . . . . 0.62 111.808 -174.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -80.13 71.37 7.09 Favored 'Trans proline' 0 C--N 1.358 1.056 0 CA-C-N 122.091 1.783 . . . . 0.53 110.593 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.1 m -159.28 -58.65 0.07 Allowed 'General case' 0 C--N 1.353 0.718 0 N-CA-C 109.191 -0.67 . . . . 0.62 109.191 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.5 t -52.37 136.4 31.35 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 118.582 -0.723 . . . . 0.62 111.712 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -82.07 147.2 29.24 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 107.16 -1.422 . . . . 0.71 107.16 171.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 4.4 t -111.78 -31.47 6.95 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.974 -1.489 . . . . 0.82 113.516 170.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 91.7 p -45.52 -35.07 3.62 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 120.707 1.594 . . . . 0.62 114.201 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -91.92 18.27 8.07 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 120.264 1.393 . . . . 0.62 112.938 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.463 HG12 ' CZ ' ' A' ' 44' ' ' ARG . 73.1 t -83.28 120.36 34.38 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 CA-C-N 121.342 1.883 . . . . 0.62 109.25 -178.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 . . . . . 0 C--O 1.263 1.776 0 CA-C-O 118.479 -0.772 . . . . 0.68 110.112 179.811 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.396 0 N-CA-C 108.545 -0.909 . . . . 0.62 108.545 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.526 HD13 HG13 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -81.82 134.27 27.43 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 N-CA-C 109.131 -0.692 . . . . 0.62 109.131 -177.405 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 m -162.83 141.99 8.84 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 119.621 1.1 . . . . 0.62 111.095 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 59.2 m -57.02 -31.58 65.28 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 121.591 1.996 . . . . 0.82 113.767 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.99 -48.73 61.69 Favored Glycine 0 C--N 1.347 1.155 0 CA-C-N 120.536 1.516 . . . . 0.62 112.363 177.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.37 -29.96 71.02 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 118.532 1.166 . . . . 0.68 110.415 -178.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.8 t -70.27 -50.1 49.29 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 108.791 -0.818 . . . . 0.62 108.791 178.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.8 m -59.5 -45.28 92.14 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 119.925 -0.71 . . . . 0.62 110.753 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.4 p -62.85 -46.43 87.95 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 119.737 -0.785 . . . . 0.62 109.572 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -56.11 -41.77 75.8 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 119.346 -0.941 . . . . 0.68 111.062 176.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.5 mp -89.39 25.2 2.0 Allowed 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.362 -0.828 . . . . 0.62 112.629 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.46 -53.05 68.38 Favored Pre-proline 0 C--N 1.356 0.883 0 CA-C-O 116.688 -1.625 . . . . 0.62 111.492 -178.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -70.15 -29.63 21.74 Favored 'Trans proline' 0 C--N 1.358 1.061 0 CA-C-N 123.626 2.331 . . . . 0.53 110.956 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.0 m -61.54 -29.15 69.82 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 117.928 -1.034 . . . . 0.82 109.444 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -54.43 -40.25 68.13 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 120.954 1.706 . . . . 0.62 111.285 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.57 -33.13 60.6 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 119.925 -0.71 . . . . 0.62 110.804 177.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -65.66 -35.54 81.06 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 120.531 -0.467 . . . . 0.62 110.65 174.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.428 HD21 HD11 ' A' ' 69' ' ' LEU . 27.9 mt -57.94 -38.62 76.3 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-N 118.889 0.768 . . . . 0.62 111.039 176.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -68.28 -1.99 7.37 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-O 118.241 -0.885 . . . . 0.76 113.377 172.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 61.0 t30 53.41 44.77 29.56 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 121.081 1.764 . . . . 0.68 110.718 -176.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 t -140.78 -47.51 0.41 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-O 117.402 -1.285 . . . . 0.62 112.646 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.08 154.21 19.49 Favored Glycine 0 C--N 1.36 1.879 0 CA-C-N 121.415 1.916 . . . . 0.62 110.299 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -75.38 142.34 26.63 Favored 'Trans proline' 0 C--N 1.356 0.95 0 CA-C-N 121.329 2.565 . . . . 0.53 113.426 -177.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -69.56 -30.53 68.36 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 113.051 0.76 . . . . 0.62 113.051 172.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.47 -120.73 21.37 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-O 118.116 -1.38 . . . . 0.62 112.14 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -95.32 20.27 9.56 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-N 120.025 1.913 . . . . 0.76 111.096 -175.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.4 t -53.76 -32.95 54.2 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.925 1.239 . . . . 0.82 111.168 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 71.7 m -49.62 -38.88 33.81 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.076 -0.964 . . . . 0.82 110.637 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.3 -44.54 89.47 Favored Glycine 0 C--N 1.351 1.371 0 C-N-CA 119.172 -1.49 . . . . 0.62 110.791 176.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.11 -43.85 96.62 Favored Glycine 0 C--N 1.35 1.35 0 C-N-CA 119.61 -1.281 . . . . 0.62 111.363 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.54 -52.07 64.05 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 106.574 -1.639 . . . . 0.62 106.574 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -52.25 -43.3 64.28 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 119.149 -0.453 . . . . 0.62 110.701 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.55 -46.51 77.14 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 120.084 -0.647 . . . . 0.62 109.736 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' SER . 91.3 mt -60.01 -41.33 91.92 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 118.625 -0.702 . . . . 0.62 110.09 -177.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.43 HG22 HG23 ' A' ' 77' ' ' ILE . 60.3 t -46.98 -44.92 7.78 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.698 0 CA-C-N 118.646 0.657 . . . . 0.62 110.452 -175.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -53.13 -42.23 65.83 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 119.943 -0.703 . . . . 0.68 109.399 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' LEU . 5.1 m -105.15 50.18 0.79 Allowed 'General case' 0 C--N 1.353 0.737 0 O-C-N 123.542 0.526 . . . . 0.62 110.391 172.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.92 38.82 0.6 Allowed 'General case' 0 C--N 1.353 0.74 0 C-N-CA 121.187 -0.205 . . . . 0.62 111.205 170.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.0 mmm-85 -139.38 9.37 2.48 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 114.892 1.441 . . . . 0.76 114.892 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.8 m -107.58 45.31 1.01 Allowed 'General case' 0 C--N 1.356 0.889 0 CA-C-N 120.972 1.715 . . . . 0.62 108.206 177.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.6 m 66.8 -68.34 0.14 Allowed 'General case' 0 C--N 1.353 0.748 0 N-CA-C 113.485 0.92 . . . . 0.62 113.485 176.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -69.56 -55.65 9.53 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 120.088 1.313 . . . . 0.71 108.853 -174.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -54.0 -42.08 68.67 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 119.799 -0.76 . . . . 0.71 111.402 177.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.45 ' NH2' ' O ' ' A' ' 91' ' ' GLN . 39.5 ttp85 -54.51 -48.82 71.44 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 118.184 -1.406 . . . . 0.76 111.899 172.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -60.61 -47.66 85.25 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 120.053 -0.659 . . . . 0.68 112.349 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.526 HG13 HD13 ' A' ' 2' ' ' ILE . 25.7 mm -58.49 -45.71 89.98 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 N-CA-C 108.262 -1.014 . . . . 0.62 108.262 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.87 -50.02 70.47 Favored 'General case' 0 CA--C 1.509 -0.6 0 C-N-CA 118.903 -1.119 . . . . 0.62 109.663 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.6 t -48.52 -47.75 38.81 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 118.732 0.696 . . . . 0.82 111.329 174.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.3 m -68.39 -48.53 64.45 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 108.639 -0.874 . . . . 0.62 108.639 -173.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 98.0 m -59.52 -43.52 93.4 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 120.436 -0.505 . . . . 0.82 111.049 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.576 ' HB3' HG23 ' A' ' 81' ' ' ILE . 44.7 mt -63.14 -49.51 74.08 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 119.518 -0.873 . . . . 0.62 108.723 178.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.458 ' HG3' ' HA ' ' A' ' 83' ' ' PRO . 50.8 tttm -48.57 -47.15 39.75 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 109.496 -0.557 . . . . 0.62 109.496 178.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.1 p -72.58 -36.15 68.09 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-O 117.329 -1.32 . . . . 0.62 112.198 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.55 -51.12 63.91 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 121.346 1.885 . . . . 0.62 109.777 175.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.01 -40.01 65.55 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 119.476 -0.89 . . . . 0.62 109.744 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.7 75.07 1.7 Allowed Glycine 0 C--N 1.355 1.613 0 CA-C-O 118.532 -1.149 . . . . 0.62 110.408 -178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 179.8 -49.52 0.01 OUTLIER 'General case' 0 C--N 1.352 0.681 0 CA-C-N 117.687 0.743 . . . . 0.62 110.674 -174.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 58' ' ' ILE . 86.6 mt -53.54 141.24 8.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 CA-C-O 117.661 -1.161 . . . . 0.62 108.607 178.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.8 t -72.35 -53.28 12.8 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-N 120.994 1.725 . . . . 0.62 112.405 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.66 33.52 3.92 Favored Glycine 0 C--N 1.354 1.546 0 O-C-N 120.934 -1.104 . . . . 0.62 114.488 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.535 HD11 ' HB2' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -64.62 132.25 30.44 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.654 0 CA-C-N 120.28 2.04 . . . . 0.62 111.194 -179.489 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -97.61 107.94 20.55 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 119.998 1.272 . . . . 0.68 109.149 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.4 tp -47.65 -45.97 28.47 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 112.64 0.607 . . . . 0.62 112.64 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.01 -35.48 64.24 Favored Glycine 0 C--N 1.351 1.382 0 C-N-CA 119.69 -1.243 . . . . 0.62 112.247 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -69.46 -50.75 42.51 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.162 1.481 . . . . 0.62 108.611 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.535 ' HB2' HD11 ' A' ' 61' ' ' ILE . . . -48.79 -55.05 12.67 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 119.647 -0.821 . . . . 0.62 109.916 176.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.6 -31.91 69.92 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 117.791 -1.1 . . . . 0.62 112.883 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -86.59 7.23 80.23 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-O 117.597 -1.668 . . . . 0.62 115.083 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.428 HD11 HD21 ' A' ' 18' ' ' LEU . 85.6 mt -66.06 -41.6 45.68 Favored Pre-proline 0 C--N 1.353 0.723 0 CA-C-N 122.335 3.068 . . . . 0.62 112.632 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -61.82 -31.76 85.46 Favored 'Trans proline' 0 C--N 1.361 1.185 0 CA-C-N 124.997 2.82 . . . . 0.53 108.863 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.4 t -64.82 -51.85 59.94 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 119.065 -1.054 . . . . 0.62 109.007 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.6 m -64.83 -38.14 89.97 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 119.886 -0.725 . . . . 0.62 111.119 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 75' ' ' VAL . 69.9 m -108.78 80.42 1.33 Allowed 'General case' 0 C--N 1.349 0.556 0 N-CA-C 108.471 -0.937 . . . . 0.82 108.471 172.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.34 77.49 0.01 OUTLIER Glycine 0 C--N 1.355 1.616 0 CA-C-O 119.299 -0.723 . . . . 0.62 112.276 177.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' CYS . 21.9 m -105.42 -159.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 107.337 -1.357 . . . . 0.62 107.337 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -112.35 67.1 0.65 Allowed 'General case' 0 C--N 1.356 0.885 0 CA-C-N 121.062 1.756 . . . . 0.68 110.68 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.43 HG23 HG22 ' A' ' 35' ' ' VAL . 6.4 pt -112.08 132.02 22.23 Favored Pre-proline 0 C--N 1.358 0.961 0 CA-C-O 116.547 -1.692 . . . . 0.62 109.267 176.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -77.38 -36.38 1.32 Allowed 'Trans proline' 0 C--N 1.362 1.254 0 CA-C-N 122.945 2.087 . . . . 0.53 111.666 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -71.87 158.23 36.44 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 108.685 -0.857 . . . . 0.62 108.685 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -106.06 34.22 3.44 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 120.649 -0.42 . . . . 0.62 110.72 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.576 HG23 ' HB3' ' A' ' 51' ' ' LEU . 1.5 mt 47.14 40.35 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.627 0 CA-C-O 118.833 -0.603 . . . . 0.62 111.861 174.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.8 m -98.25 141.2 22.56 Favored Pre-proline 0 C--N 1.35 0.591 0 CA-C-O 116.236 -1.84 . . . . 0.62 111.025 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.458 ' HA ' ' HG3' ' A' ' 52' ' ' LYS . 88.8 Cg_endo -72.22 67.68 3.41 Favored 'Trans proline' 0 C--N 1.363 1.296 0 CA-C-N 122.8 2.036 . . . . 0.53 111.161 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -165.42 -53.43 0.03 OUTLIER 'General case' 0 C--N 1.352 0.685 0 CA-C-O 119.296 -0.383 . . . . 0.62 110.208 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.5 t -37.52 105.36 0.04 OUTLIER 'General case' 0 C--N 1.354 0.793 0 N-CA-C 114.416 1.265 . . . . 0.62 114.416 176.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -63.49 144.89 56.61 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 120.757 1.617 . . . . 0.71 110.268 175.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 91.2 m -139.47 44.65 1.97 Allowed 'General case' 0 C--N 1.358 0.977 0 CA-C-N 119.357 0.981 . . . . 0.82 112.492 174.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 61.1 p -93.21 -29.61 15.62 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-O 117.679 -1.153 . . . . 0.62 112.786 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.09 40.86 2.87 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.964 1.711 . . . . 0.62 110.548 177.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 35.0 t -76.9 142.82 13.78 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.616 0 N-CA-C 107.987 -1.116 . . . . 0.62 107.987 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.45 ' O ' ' NH2' ' A' ' 44' ' ' ARG . 76.4 mt-30 . . . . . 0 C--O 1.26 1.631 0 CA-C-O 117.774 -1.108 . . . . 0.68 108.598 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.638 0 N-CA-C 112.676 0.621 . . . . 0.62 112.676 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 pp -39.6 150.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.849 0 N-CA-C 113.796 1.036 . . . . 0.62 113.796 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -100.34 167.37 10.45 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 118.043 0.383 . . . . 0.62 111.027 -176.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.9 m -59.77 -38.4 81.74 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 112.668 0.618 . . . . 0.82 112.668 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -49.47 -47.39 36.11 Favored Glycine 0 C--N 1.35 1.337 0 C-N-CA 119.572 -1.299 . . . . 0.62 112.817 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -64.09 -43.46 95.33 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 117.981 0.891 . . . . 0.68 109.803 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.1 t -57.83 -57.61 9.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 107.095 -1.446 . . . . 0.62 107.095 -175.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.4 m -58.13 -47.02 84.59 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 123.688 0.617 . . . . 0.62 110.791 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.8 m -58.47 -50.9 72.07 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 120.082 -0.647 . . . . 0.62 109.607 -174.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -52.06 -45.61 64.81 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 119.649 -0.82 . . . . 0.68 111.594 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.319 4.3 pp -94.31 28.53 2.5 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 112.677 0.621 . . . . 0.62 112.677 -177.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.52 -47.13 98.66 Favored Pre-proline 0 C--N 1.353 0.735 0 CA-C-O 116.422 -1.751 . . . . 0.62 112.384 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -66.13 -28.01 48.89 Favored 'Trans proline' 0 C--N 1.359 1.126 0 CA-C-N 123.932 2.44 . . . . 0.53 110.417 -177.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.6 m -60.56 -35.02 75.05 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 118.879 -1.129 . . . . 0.82 109.766 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.463 HD22 HD11 ' A' ' 58' ' ' ILE . 47.9 mt -53.87 -48.53 69.94 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 120.515 1.507 . . . . 0.62 107.87 -177.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.78 84.63 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 120.631 -0.428 . . . . 0.62 110.818 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -60.67 -40.48 92.26 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.966 -1.016 . . . . 0.62 111.679 174.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.8 mt -66.05 -40.99 91.4 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.6 1.545 . . . . 0.62 110.432 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -56.62 -26.12 55.0 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 117.942 -1.028 . . . . 0.76 110.956 173.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 83.31 59.15 0.01 OUTLIER 'General case' 0 C--N 1.355 0.841 0 CA-C-N 119.727 1.149 . . . . 0.68 108.512 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.1 p -148.34 -67.9 0.23 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 109.718 -0.475 . . . . 0.62 109.718 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -91.22 142.09 15.96 Favored Glycine 0 C--N 1.355 1.625 0 CA-C-O 116.397 -2.335 . . . . 0.62 110.069 -176.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -71.74 -168.57 0.37 Allowed 'Trans proline' 0 C--N 1.356 0.94 0 CA-C-N 122.635 3.217 . . . . 0.53 112.837 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.86 -36.88 70.26 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.599 -0.889 . . . . 0.62 108.599 -178.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.92 -124.93 37.27 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-O 117.61 -1.661 . . . . 0.62 110.13 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -99.05 25.49 6.7 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 119.68 1.74 . . . . 0.76 110.39 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.5 t -60.59 -48.15 83.04 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-N 119.643 1.11 . . . . 0.82 108.94 176.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.1 m -51.37 -41.6 60.77 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.895 -1.05 . . . . 0.82 112.877 -175.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.49 -51.87 56.21 Favored Glycine 0 C--N 1.351 1.412 0 C-N-CA 119.103 -1.522 . . . . 0.62 110.07 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.87 -39.77 95.91 Favored Glycine 0 C--N 1.352 1.457 0 C-N-CA 119.885 -1.15 . . . . 0.62 111.88 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.55 -60.07 3.33 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 N-CA-C 105.902 -1.888 . . . . 0.62 105.902 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -46.36 -38.62 9.1 Favored 'General case' 0 C--O 1.224 -0.289 0 O-C-N 119.854 -1.779 . . . . 0.62 111.549 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.71 -48.94 70.29 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.439 1.018 . . . . 0.62 112.222 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 pp -60.6 -31.69 70.85 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 120.634 1.561 . . . . 0.62 108.906 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.23 -44.98 96.68 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 CA-C-N 119.395 0.998 . . . . 0.62 111.099 -175.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -53.86 -45.31 70.95 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 108.266 -1.012 . . . . 0.68 108.266 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.9 m -89.52 59.64 4.84 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 108.856 -0.794 . . . . 0.62 108.856 172.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.93 -57.4 0.1 Allowed 'General case' 0 C--N 1.349 0.572 0 N-CA-C 106.729 -1.582 . . . . 0.62 106.729 177.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.6 mmm-85 -66.94 66.69 0.06 Allowed 'General case' 0 C--N 1.355 0.818 0 CA-C-N 119.192 0.905 . . . . 0.76 112.984 177.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.9 m -140.32 40.99 1.92 Allowed 'General case' 0 C--N 1.351 0.662 0 N-CA-C 106.391 -1.707 . . . . 0.62 106.391 169.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.2 m 62.99 -66.26 0.09 Allowed 'General case' 0 C--N 1.355 0.844 0 N-CA-C 113.746 1.017 . . . . 0.62 113.746 -175.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -78.18 -49.77 13.19 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 119.691 1.132 . . . . 0.71 110.238 -171.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -52.12 -50.55 61.46 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 119.396 -0.922 . . . . 0.71 109.888 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . 0.273 0.0 OUTLIER -61.13 -33.86 74.07 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 118.161 -0.923 . . . . 0.76 111.876 176.387 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -61.62 -42.66 99.19 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 121.455 1.934 . . . . 0.68 109.033 177.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.5 mm -71.37 -46.08 66.31 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 N-CA-C 108.199 -1.037 . . . . 0.62 108.199 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.18 -52.06 47.82 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 119.059 0.845 . . . . 0.62 109.144 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.1 t -47.71 -47.94 29.76 Favored 'General case' 0 C--N 1.346 0.452 0 N-CA-C 112.85 0.685 . . . . 0.82 112.85 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.9 m -69.16 -47.38 65.13 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 108.392 -0.966 . . . . 0.62 108.392 -177.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.6 m -52.6 -41.5 63.71 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 119.836 -0.745 . . . . 0.82 110.62 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.85 -46.67 71.12 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 120.257 -0.577 . . . . 0.62 109.954 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -51.8 -42.98 62.89 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 119.22 -0.992 . . . . 0.62 108.534 175.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.3 m -65.75 -45.16 83.6 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 118.8 -0.619 . . . . 0.62 111.497 176.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.64 -46.01 91.91 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.358 0.981 . . . . 0.62 109.754 -177.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.41 -44.83 77.85 Favored 'General case' 0 C--N 1.351 0.674 0 N-CA-C 109.045 -0.724 . . . . 0.62 109.045 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.24 69.13 1.98 Allowed Glycine 0 C--N 1.353 1.486 0 N-CA-C 110.006 -1.238 . . . . 0.62 110.006 175.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -172.52 -53.85 0.02 OUTLIER 'General case' 0 C--N 1.354 0.783 0 CA-C-N 117.94 0.87 . . . . 0.62 110.596 -178.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.463 HD11 HD22 ' A' ' 15' ' ' LEU . 22.3 mm -47.34 126.4 2.33 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-O 117.969 -1.015 . . . . 0.62 109.004 177.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.7 t -70.5 -44.51 67.48 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 121.07 1.759 . . . . 0.62 114.327 -175.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -102.92 53.56 0.75 Allowed Glycine 0 C--N 1.352 1.453 0 N-CA-C 107.477 -2.249 . . . . 0.62 107.477 -174.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.3 tt -77.08 143.28 13.13 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 CA-C-O 117.741 -1.123 . . . . 0.62 112.264 -170.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -100.37 116.09 31.52 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 107.717 -1.216 . . . . 0.68 107.717 172.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.3 tp -57.1 -47.13 81.82 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 118.983 0.81 . . . . 0.62 111.671 -175.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.08 -39.2 94.06 Favored Glycine 0 C--N 1.353 1.491 0 C-N-CA 119.577 -1.297 . . . . 0.62 111.323 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -69.23 -43.31 74.3 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.379 1.589 . . . . 0.62 109.522 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.51 -56.07 13.23 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 119.772 1.169 . . . . 0.62 109.157 173.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.93 -7.63 55.03 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 114.945 1.461 . . . . 0.62 114.945 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.59 -3.32 71.64 Favored Glycine 0 C--N 1.353 1.487 0 CA-C-O 117.462 -1.744 . . . . 0.62 113.423 173.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.403 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 96.6 mt -60.02 -42.45 90.33 Favored Pre-proline 0 C--N 1.354 0.764 0 CA-C-N 121.656 2.728 . . . . 0.62 113.26 179.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 69' ' ' LEU . 38.1 Cg_exo -57.59 -49.68 12.78 Favored 'Trans proline' 0 C--N 1.357 0.992 0 CA-C-N 123.636 2.334 . . . . 0.53 110.24 178.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.1 m -64.86 -43.69 92.14 Favored 'General case' 0 CA--C 1.506 -0.746 0 O-C-N 123.899 0.749 . . . . 0.62 109.679 -175.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.0 m -62.35 -52.22 64.49 Favored 'General case' 0 C--N 1.349 0.578 0 N-CA-C 108.339 -0.986 . . . . 0.62 108.339 -176.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 80.7 m -98.83 69.67 1.82 Allowed 'General case' 0 C--N 1.353 0.745 0 N-CA-C 106.536 -1.653 . . . . 0.82 106.536 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -27.06 101.31 0.01 OUTLIER Glycine 0 C--N 1.352 1.469 0 CA-C-O 117.637 -1.646 . . . . 0.62 115.542 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.9 m -139.69 154.85 24.58 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 CA-C-N 119.778 1.789 . . . . 0.62 110.388 177.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -88.71 65.33 7.68 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.296 0.953 . . . . 0.68 111.36 -173.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 16.1 pt -101.55 134.4 20.26 Favored Pre-proline 0 C--N 1.355 0.824 0 CA-C-O 115.316 -2.278 . . . . 0.62 110.693 -177.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -66.8 -49.52 1.51 Allowed 'Trans proline' 0 C--N 1.363 1.314 0 CA-C-N 125.054 2.841 . . . . 0.53 110.584 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -63.61 153.99 34.18 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.116 -1.421 . . . . 0.62 109.833 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -107.52 27.64 8.93 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.833 1.197 . . . . 0.62 110.809 173.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 mt 52.09 42.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.474 0 CA-C-N 120.297 1.408 . . . . 0.62 110.234 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.8 t -105.52 139.06 19.8 Favored Pre-proline 0 C--N 1.354 0.802 0 CA-C-O 115.274 -2.298 . . . . 0.62 108.448 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.6 70.95 1.98 Allowed 'Trans proline' 0 C--N 1.355 0.876 0 CA-C-N 124.492 2.64 . . . . 0.53 110.998 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.2 m -170.76 -53.71 0.02 OUTLIER 'General case' 0 C--N 1.355 0.833 0 CA-C-O 118.779 -0.629 . . . . 0.62 110.472 -175.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.0 t -37.19 116.8 0.48 Allowed 'General case' 0 C--N 1.356 0.863 0 CA-C-O 118.267 -0.873 . . . . 0.62 111.621 178.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -90.2 146.36 24.32 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 120.783 1.629 . . . . 0.71 107.461 172.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 57.1 m -143.18 39.75 1.46 Allowed 'General case' 0 C--N 1.353 0.741 0 CA-C-N 118.718 0.69 . . . . 0.82 110.759 171.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.67 -15.51 54.3 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-O 117.843 -1.075 . . . . 0.62 109.569 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.05 55.3 0.83 Allowed 'General case' 0 C--N 1.356 0.88 0 CA-C-N 119.975 1.261 . . . . 0.62 108.581 -177.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 25.5 t -60.94 135.71 25.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 CA-C-O 118.188 -0.911 . . . . 0.62 109.584 -176.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 . . . . . 0 C--O 1.263 1.775 0 CA-C-O 117.708 -1.139 . . . . 0.68 108.108 175.336 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.188 0 CA-C-O 117.827 -1.082 . . . . 0.62 109.943 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.2 mm -80.52 149.2 5.2 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 N-CA-C 105.687 -1.968 . . . . 0.62 105.687 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.2 p -112.33 149.63 32.16 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 121.951 2.159 . . . . 0.62 112.776 178.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.1 t -65.06 -28.48 69.5 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-O 117.338 -1.315 . . . . 0.82 112.221 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.47 -46.04 88.4 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-N 120.504 1.502 . . . . 0.62 111.829 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -61.89 -45.69 92.64 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 117.922 0.861 . . . . 0.68 109.395 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.4 HG13 HD22 ' A' ' 34' ' ' LEU . 93.7 t -59.53 -49.56 83.18 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 N-CA-C 106.304 -1.739 . . . . 0.62 106.304 -178.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.0 m -51.1 -46.52 61.86 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 121.748 -0.595 . . . . 0.62 109.855 -176.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.7 m -54.19 -43.62 70.87 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 120.271 -0.571 . . . . 0.62 111.741 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -58.42 -33.74 70.01 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 119.127 0.876 . . . . 0.68 112.55 177.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -77.78 -1.02 29.35 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 115.488 -2.196 . . . . 0.62 110.46 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.37 -54.78 5.87 Favored Pre-proline 0 C--N 1.359 0.98 0 CA-C-N 122.509 2.413 . . . . 0.62 112.888 -174.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.08 -22.78 18.98 Favored 'Trans proline' 0 C--N 1.362 1.252 0 CA-C-N 122.011 1.754 . . . . 0.53 111.901 -178.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.0 m -73.67 -40.16 63.89 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.962 -1.018 . . . . 0.82 108.404 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.425 HD22 HD11 ' A' ' 58' ' ' ILE . 26.1 mt -42.89 -44.02 4.35 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.486 1.039 . . . . 0.62 109.961 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.72 98.32 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 121.794 -0.566 . . . . 0.62 111.273 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -61.97 -39.76 93.25 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 118.772 0.714 . . . . 0.62 110.641 173.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.7 mt -57.5 -34.47 69.1 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 119.1 0.864 . . . . 0.62 109.961 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.5 ttt85 -85.71 22.04 1.72 Allowed 'General case' 0 C--N 1.354 0.781 0 CA-C-O 118.946 -0.55 . . . . 0.76 111.893 174.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.3 p30 39.82 29.7 0.05 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-N 121.221 1.828 . . . . 0.68 115.309 -174.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.2 m -106.89 -57.65 2.04 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 119.431 1.014 . . . . 0.62 110.204 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.69 153.54 17.46 Favored Glycine 0 C--N 1.354 1.547 0 CA-C-O 117.512 -1.716 . . . . 0.62 110.127 -177.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -72.45 -178.8 3.56 Favored 'Trans proline' 0 C--N 1.357 1.017 0 CA-C-N 121.423 2.612 . . . . 0.53 112.755 -178.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mp -74.9 -53.86 8.28 Favored 'General case' 0 C--N 1.351 0.64 0 N-CA-C 109.015 -0.735 . . . . 0.62 109.015 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.58 -120.53 7.78 Favored Glycine 0 C--N 1.354 1.53 0 N-CA-C 110.313 -1.115 . . . . 0.62 110.313 -176.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -76.85 -2.94 35.95 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 119.083 1.442 . . . . 0.76 114.479 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.6 t -46.01 -47.74 16.76 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 121.028 1.74 . . . . 0.82 109.841 172.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 67.6 m -54.08 -37.61 64.43 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 118.683 0.674 . . . . 0.82 111.461 -175.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.22 -48.26 87.0 Favored Glycine 0 C--N 1.351 1.401 0 C-N-CA 119.757 -1.211 . . . . 0.62 110.814 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.05 -47.61 86.1 Favored Glycine 0 C--N 1.353 1.515 0 N-CA-C 108.947 -1.661 . . . . 0.62 108.947 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.4 t -52.15 -44.38 40.46 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 109.094 -0.706 . . . . 0.62 109.094 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -56.73 -47.1 80.76 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 121.625 -0.672 . . . . 0.62 111.003 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.12 -28.22 68.94 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 119.958 1.253 . . . . 0.62 111.656 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.4 HD22 HG13 ' A' ' 7' ' ' VAL . 24.4 mt -64.14 -31.52 72.75 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.915 1.234 . . . . 0.62 109.538 175.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.1 t -54.97 -51.25 55.45 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 CA-C-N 120.255 1.389 . . . . 0.62 108.935 177.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -68.49 -39.45 81.29 Favored 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 107.838 -1.171 . . . . 0.68 107.838 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 m -79.4 62.1 3.64 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 106.643 -1.614 . . . . 0.62 106.643 172.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -172.24 -54.13 0.02 OUTLIER 'General case' 0 C--N 1.353 0.736 0 N-CA-C 109.366 -0.605 . . . . 0.62 109.366 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . 0.25 1.4 mmp_? -79.09 59.01 2.6 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 121.528 -0.732 . . . . 0.76 112.349 174.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 m -147.08 39.87 1.03 Allowed 'General case' 0 C--N 1.358 0.935 0 N-CA-C 107.562 -1.273 . . . . 0.62 107.562 169.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.6 m 52.98 -75.01 0.01 OUTLIER 'General case' 0 C--N 1.356 0.882 0 N-CA-C 115.919 1.822 . . . . 0.62 115.919 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -71.47 -40.66 70.14 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 121.179 1.809 . . . . 0.71 108.586 -175.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -45.58 -52.49 10.48 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-O 117.671 -1.157 . . . . 0.71 111.732 176.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -35.9 76.15 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-N 121.544 1.975 . . . . 0.76 109.785 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -61.89 -41.93 98.47 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 119.098 -1.041 . . . . 0.68 108.937 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.0 mm -72.04 -49.44 44.07 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 N-CA-C 108.654 -0.869 . . . . 0.62 108.654 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.34 -63.49 1.13 Allowed 'General case' 0 C--N 1.353 0.732 0 CA-C-N 120.112 1.324 . . . . 0.62 109.842 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.5 p -47.65 -44.19 26.79 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 119.844 1.202 . . . . 0.82 113.047 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.428 HG23 ' HB2' ' A' ' 87' ' ' CYS . 13.5 p -68.24 -48.83 64.07 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-N 119.86 1.209 . . . . 0.62 110.027 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 51.7 t -52.36 -40.58 62.16 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 119.114 -1.035 . . . . 0.82 110.567 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.6 mt -77.94 -42.23 33.66 Favored 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 119.849 -0.74 . . . . 0.62 110.208 -175.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -47.04 -48.62 22.18 Favored 'General case' 0 C--N 1.347 0.494 0 N-CA-C 108.576 -0.898 . . . . 0.62 108.576 171.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.5 t -63.35 -48.98 75.69 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.693 -0.67 . . . . 0.62 110.954 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.62 -54.55 40.02 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.587 1.085 . . . . 0.62 109.783 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.56 -51.04 29.68 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.251 -0.648 . . . . 0.62 109.251 -177.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.16 -38.54 94.58 Favored Glycine 0 C--N 1.354 1.56 0 C-N-CA 120.06 -1.066 . . . . 0.62 111.887 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.68 -29.84 69.22 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 118.88 1.34 . . . . 0.62 112.602 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.425 HD11 HD22 ' A' ' 15' ' ' LEU . 47.8 mm -61.64 136.84 24.63 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-N 120.31 1.414 . . . . 0.62 110.751 -175.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.9 p -69.06 -53.07 22.33 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 119.406 1.003 . . . . 0.62 113.524 -178.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -99.77 40.83 2.32 Favored Glycine 0 C--N 1.355 1.588 0 CA-C-N 119.317 0.962 . . . . 0.62 110.782 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.9 tp -52.02 122.17 2.41 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-O 117.0 -1.476 . . . . 0.62 112.009 -175.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -100.49 115.51 30.25 Favored 'General case' 0 C--N 1.359 1.009 0 CA-C-N 121.386 1.903 . . . . 0.68 108.895 171.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.2 tp -54.13 -45.43 71.93 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-N 118.928 0.786 . . . . 0.62 111.419 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.19 -44.14 93.3 Favored Glycine 0 C--N 1.354 1.576 0 C-N-CA 120.212 -0.994 . . . . 0.62 113.331 -176.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -72.66 -39.74 66.88 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 119.051 1.426 . . . . 0.62 109.244 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.5 -57.29 13.33 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.697 1.135 . . . . 0.62 110.695 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.29 -28.35 66.2 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-O 117.98 -1.009 . . . . 0.62 111.17 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -80.22 1.49 80.53 Favored Glycine 0 C--N 1.354 1.556 0 CA-C-O 117.765 -1.575 . . . . 0.62 113.188 173.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.78 -49.26 90.28 Favored Pre-proline 0 C--N 1.355 0.829 0 CA-C-N 121.161 2.48 . . . . 0.62 110.922 -177.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -65.47 -31.85 50.57 Favored 'Trans proline' 0 C--N 1.365 1.447 0 CA-C-N 124.499 2.642 . . . . 0.53 111.281 177.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 m -67.89 -39.07 83.7 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 118.55 0.614 . . . . 0.62 111.552 -178.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 80.4 m -62.27 -40.34 95.9 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 107.907 -1.145 . . . . 0.62 107.907 -177.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.2 m -116.91 88.07 2.83 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 106.664 -1.606 . . . . 0.82 106.664 172.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.71 127.65 3.11 Favored Glycine 0 C--N 1.356 1.653 0 CA-C-O 118.465 -1.186 . . . . 0.62 113.224 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -151.42 161.41 3.34 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 CA-C-N 118.725 1.263 . . . . 0.62 107.765 -177.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -84.13 54.52 2.97 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 120.909 1.686 . . . . 0.68 110.497 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.0 mt -91.31 120.89 68.28 Favored Pre-proline 0 C--N 1.355 0.813 0 CA-C-O 116.374 -1.774 . . . . 0.62 107.878 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -86.97 65.27 4.42 Favored 'Trans proline' 0 C--N 1.363 1.301 0 CA-C-N 123.616 2.327 . . . . 0.53 111.474 177.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . 0.251 23.7 p90 -179.38 146.48 0.28 Allowed 'General case' 0 C--O 1.217 -0.647 0 CA-C-O 118.528 -0.749 . . . . 0.62 109.682 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -112.17 50.27 0.87 Allowed 'General case' 0 C--N 1.353 0.74 0 CA-C-N 120.534 1.516 . . . . 0.62 107.013 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.4 mt 29.75 59.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.349 0.553 0 CA-C-N 114.672 -1.149 . . . . 0.62 113.317 175.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.2 m -83.55 134.58 44.78 Favored Pre-proline 0 C--N 1.352 0.684 0 CA-C-O 116.091 -1.909 . . . . 0.62 109.269 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -65.02 11.97 0.11 Allowed 'Trans proline' 0 C--N 1.363 1.295 0 CA-C-N 123.648 2.338 . . . . 0.53 116.209 170.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.5 p -140.95 26.91 2.02 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 121.135 1.789 . . . . 0.62 111.468 176.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.0 t -79.42 146.4 32.81 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 119.893 1.224 . . . . 0.62 112.532 -177.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -88.31 145.08 26.03 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 107.771 -1.196 . . . . 0.71 107.771 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.428 ' HB2' HG23 ' A' ' 49' ' ' THR . 73.8 m -135.48 28.2 3.35 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 119.363 0.983 . . . . 0.82 112.739 176.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.9 p -99.74 -31.53 11.5 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 117.319 -1.324 . . . . 0.62 112.937 -172.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.97 49.56 1.55 Allowed 'General case' 0 C--N 1.356 0.85 0 CA-C-N 120.592 1.542 . . . . 0.62 108.078 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 89.5 t -93.99 139.12 18.95 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.68 0 CA-C-O 118.514 -0.755 . . . . 0.62 110.211 -177.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 . . . . . 0 C--O 1.264 1.823 0 N-CA-C 107.633 -1.247 . . . . 0.68 107.633 178.72 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 N-CA-C 110.15 -0.315 . . . . 0.62 110.15 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.4 mm -93.38 157.71 2.95 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.755 0 N-CA-C 108.394 -0.965 . . . . 0.62 108.394 -174.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.8 m -143.69 150.27 38.43 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 118.742 0.701 . . . . 0.62 109.419 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.9 m -54.07 -32.41 54.58 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-O 117.918 -1.039 . . . . 0.82 113.575 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.85 -50.04 51.91 Favored Glycine 0 C--N 1.351 1.405 0 CA-C-N 120.67 1.577 . . . . 0.62 112.562 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -57.78 -35.1 70.33 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 118.217 1.009 . . . . 0.68 110.679 177.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.2 t -75.17 -51.99 19.91 Favored 'Isoleucine or valine' 0 C--N 1.35 0.602 0 N-CA-C 109.257 -0.646 . . . . 0.62 109.257 -172.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 m -56.54 -38.6 72.09 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 118.103 0.411 . . . . 0.62 110.24 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.1 m -65.17 -53.53 43.44 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 120.586 -0.446 . . . . 0.62 110.722 -177.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -60.92 -41.95 97.17 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 119.759 -0.776 . . . . 0.68 110.18 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.439 HD22 ' CD2' ' A' ' 51' ' ' LEU 0.307 5.5 mp -79.71 18.67 0.74 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.426 -1.273 . . . . 0.62 114.086 179.379 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.99 -54.02 54.8 Favored Pre-proline 0 C--N 1.353 0.737 0 CA-C-N 121.865 2.12 . . . . 0.62 112.821 -175.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -70.14 -28.57 23.26 Favored 'Trans proline' 0 C--N 1.362 1.287 0 CA-C-N 124.056 2.484 . . . . 0.53 110.394 -177.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.6 m -60.56 -38.79 85.71 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 108.697 -0.853 . . . . 0.82 108.697 177.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.5 mt -54.95 -44.94 74.78 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 119.88 1.218 . . . . 0.62 109.011 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.98 88.07 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 119.714 -0.795 . . . . 0.62 110.305 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -62.84 -37.96 88.89 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 112.722 0.638 . . . . 0.62 112.722 175.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.44 -40.28 96.08 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 119.224 0.92 . . . . 0.62 109.832 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -65.81 -10.77 40.75 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 118.16 -0.924 . . . . 0.76 112.233 175.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.9 t30 63.58 58.82 1.26 Allowed 'General case' 0 C--N 1.356 0.871 0 CA-C-N 120.426 1.466 . . . . 0.68 108.846 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -159.87 -49.98 0.05 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.058 -1.448 . . . . 0.62 113.015 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -98.94 147.91 18.65 Favored Glycine 0 C--N 1.359 1.839 0 CA-C-N 121.407 1.912 . . . . 0.62 109.177 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -72.72 136.5 25.68 Favored 'Trans proline' 0 C--N 1.354 0.865 0 CA-C-N 121.418 2.609 . . . . 0.53 114.799 -174.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -58.95 -32.59 69.76 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 120.342 1.428 . . . . 0.62 112.083 173.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.15 -132.11 19.17 Favored Glycine 0 C--N 1.348 1.218 0 CA-C-O 117.877 -1.513 . . . . 0.62 113.078 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -91.25 31.24 1.15 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.639 1.72 . . . . 0.76 112.241 -177.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 46.5 t -55.12 -39.93 69.94 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 120.126 1.33 . . . . 0.82 110.242 175.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.7 m -47.71 -38.58 15.55 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 112.414 0.524 . . . . 0.82 112.414 -172.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.09 -51.04 58.29 Favored Glycine 0 C--N 1.35 1.342 0 C-N-CA 119.946 -1.121 . . . . 0.62 111.823 178.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.0 -31.28 80.3 Favored Glycine 0 C--N 1.353 1.482 0 C-N-CA 119.7 -1.238 . . . . 0.62 111.713 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.42 -53.42 47.57 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 N-CA-C 106.898 -1.519 . . . . 0.62 106.898 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -49.89 -48.36 51.48 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 116.549 -0.296 . . . . 0.62 110.935 -176.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.61 -48.04 58.05 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 119.532 -0.867 . . . . 0.62 110.714 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.7 mt -67.61 -28.73 67.99 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 118.293 -0.861 . . . . 0.62 112.863 -177.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.2 t -47.85 -46.82 12.17 Favored 'Isoleucine or valine' 0 C--N 1.348 0.51 0 N-CA-C 107.439 -1.319 . . . . 0.62 107.439 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -55.01 -44.54 74.66 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 109.158 -0.682 . . . . 0.68 109.158 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 94.9 p -91.47 47.94 1.43 Allowed 'General case' 0 C--N 1.35 0.595 0 CA-C-O 119.403 -0.332 . . . . 0.62 110.737 171.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -158.89 48.44 0.33 Allowed 'General case' 0 C--N 1.348 0.502 0 N-CA-C 109.228 -0.656 . . . . 0.62 109.228 171.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.85 -41.36 0.15 Allowed 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 117.199 -1.381 . . . . 0.76 112.189 -173.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.81 46.31 0.01 OUTLIER 'General case' 0 C--N 1.36 1.031 0 CA-C-N 122.01 2.186 . . . . 0.62 116.543 175.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.7 m 67.46 -57.34 0.44 Allowed 'General case' 0 N--CA 1.478 0.97 0 O-C-N 118.672 -2.517 . . . . 0.62 115.777 176.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -79.87 -67.26 0.78 Allowed 'General case' 0 C--N 1.352 0.702 0 N-CA-C 107.1 -1.445 . . . . 0.71 107.1 -177.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 44' ' ' ARG . 3.2 p30 -48.28 -44.96 34.18 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 110.016 -0.364 . . . . 0.71 110.016 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.426 ' N ' ' OD1' ' A' ' 43' ' ' ASP . 46.2 ttp180 -42.06 -50.37 4.69 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 113.324 0.861 . . . . 0.76 113.324 176.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -76.25 -39.4 54.55 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 109.048 -0.723 . . . . 0.68 109.048 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mp -53.95 -50.26 54.47 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-N 118.701 0.682 . . . . 0.62 109.966 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.01 -43.06 79.71 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 108.293 -1.003 . . . . 0.62 108.293 -174.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.2 t -53.03 -55.42 23.81 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 118.357 -0.83 . . . . 0.82 110.963 175.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.8 t -65.04 -38.82 92.12 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.431 1.468 . . . . 0.62 111.491 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 94.7 m -60.72 -47.94 84.05 Favored 'General case' 0 CA--C 1.505 -0.756 0 C-N-CA 119.29 -0.964 . . . . 0.82 109.583 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.562 ' HB3' HG23 ' A' ' 81' ' ' ILE . 19.6 mt -66.05 -52.7 46.58 Favored 'General case' 0 CA--C 1.504 -0.804 0 C-N-CA 119.097 -1.041 . . . . 0.62 109.943 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.517 ' HG3' ' HA ' ' A' ' 83' ' ' PRO . 55.4 tttm -39.34 -42.88 1.1 Allowed 'General case' 0 C--N 1.344 0.357 0 C-N-CA 120.367 -0.533 . . . . 0.62 110.083 172.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.4 m -71.48 -50.3 32.91 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 118.419 0.554 . . . . 0.62 110.951 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.51 -44.57 80.87 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 118.865 0.757 . . . . 0.62 110.165 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.32 -59.54 4.98 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 108.878 -0.786 . . . . 0.62 108.878 173.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.91 -23.42 61.37 Favored Glycine 0 C--N 1.35 1.339 0 C-N-CA 120.062 -1.066 . . . . 0.62 113.289 -174.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.69 -25.97 67.74 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.539 1.67 . . . . 0.62 112.134 176.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.4 mt -80.4 132.03 32.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 CA-C-N 119.783 1.174 . . . . 0.62 109.168 -174.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.0 m -76.33 -49.33 17.19 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-N 120.21 1.368 . . . . 0.62 109.892 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.49 40.16 2.57 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-N 119.237 0.926 . . . . 0.62 112.406 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.8 tt -64.2 138.64 22.71 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 CA-C-N 119.469 1.635 . . . . 0.62 110.54 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -92.22 123.02 35.25 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.406 1.003 . . . . 0.68 109.288 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.7 -50.92 63.11 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 119.269 0.941 . . . . 0.62 109.254 -174.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.67 -43.24 94.48 Favored Glycine 0 C--N 1.351 1.414 0 CA-C-O 118.369 -1.239 . . . . 0.62 111.863 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -70.87 -31.08 67.64 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 119.709 1.755 . . . . 0.62 110.6 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.48 -51.51 68.17 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 120.623 1.556 . . . . 0.62 109.45 171.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.37 -26.63 62.88 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 118.767 -1.173 . . . . 0.62 111.595 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -78.47 -22.3 67.65 Favored Glycine 0 C--N 1.353 1.496 0 CA-C-O 118.47 -1.183 . . . . 0.62 113.061 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.411 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 51.9 tp -49.35 -50.56 64.16 Favored Pre-proline 0 C--N 1.348 0.531 0 CA-C-N 120.61 2.205 . . . . 0.62 113.987 -178.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 44.2 Cg_endo -64.26 -21.71 67.07 Favored 'Trans proline' 0 C--N 1.357 0.981 0 CA-C-N 124.475 2.634 . . . . 0.53 111.866 177.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.7 t -77.05 -52.95 8.44 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.848 1.204 . . . . 0.62 108.89 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.5 m -60.28 -47.39 86.22 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 109.31 -0.626 . . . . 0.62 109.31 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 38.6 m -92.49 69.33 4.94 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 107.708 -1.219 . . . . 0.82 107.708 169.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -31.94 108.51 0.03 OUTLIER Glycine 0 C--N 1.35 1.355 0 CA-C-O 117.988 -1.451 . . . . 0.62 113.625 175.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 m -143.94 155.76 15.77 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 CA-C-N 119.606 1.703 . . . . 0.62 110.618 176.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -88.32 57.47 4.27 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 119.367 0.985 . . . . 0.68 110.706 -176.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 13.4 pt -97.28 135.16 21.97 Favored Pre-proline 0 C--N 1.358 0.952 0 CA-C-O 117.19 -1.386 . . . . 0.62 110.193 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -87.54 51.41 2.15 Favored 'Trans proline' 0 C--N 1.357 1.023 0 CA-C-N 122.45 1.911 . . . . 0.53 112.173 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -163.67 142.06 7.72 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-O 117.496 -1.24 . . . . 0.62 110.109 176.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -87.94 28.48 1.03 Allowed 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.741 1.609 . . . . 0.62 113.408 -175.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.562 HG23 ' HB3' ' A' ' 51' ' ' LEU . 5.3 mt 44.69 36.09 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.712 0 O-C-N 120.865 -1.147 . . . . 0.62 110.62 177.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.2 m -95.43 130.53 31.9 Favored Pre-proline 0 C--N 1.353 0.751 0 CA-C-O 116.086 -1.911 . . . . 0.62 108.022 -171.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.517 ' HA ' ' HG3' ' A' ' 52' ' ' LYS . 67.0 Cg_endo -75.18 66.29 6.19 Favored 'Trans proline' 0 C--N 1.363 1.308 0 CA-C-N 124.349 2.589 . . . . 0.53 110.77 -178.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.6 p -177.84 -53.14 0.01 OUTLIER 'General case' 0 C--N 1.354 0.773 0 CA-C-O 118.362 -0.828 . . . . 0.62 110.717 -174.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.2 t -42.99 143.54 0.73 Allowed 'General case' 0 C--N 1.357 0.9 0 CA-C-N 119.415 1.007 . . . . 0.62 112.375 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -71.28 127.32 32.18 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 118.258 -0.877 . . . . 0.71 108.825 176.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 78.0 m -78.1 -28.37 48.63 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.694 1.134 . . . . 0.82 110.343 170.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.4 m -51.64 -45.3 63.27 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 120.193 1.36 . . . . 0.62 113.245 -172.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -89.66 27.21 1.56 Allowed 'General case' 0 C--N 1.357 0.898 0 CA-C-N 120.161 1.346 . . . . 0.62 111.498 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 49.5 t -76.35 117.09 20.43 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 O-C-N 119.444 -2.035 . . . . 0.62 110.198 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 . . . . . 0 C--O 1.259 1.581 0 CA-C-O 118.167 -0.92 . . . . 0.68 110.104 177.319 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 118.717 -0.659 . . . . 0.62 110.153 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -48.28 150.94 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.612 0 CA-C-O 118.413 -0.803 . . . . 0.62 112.719 175.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 m -161.69 148.49 14.21 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 120.43 1.468 . . . . 0.62 111.298 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 85.1 m -53.82 -33.59 56.63 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 115.128 1.529 . . . . 0.82 115.128 -178.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.01 -50.2 62.88 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-N 120.989 1.722 . . . . 0.62 111.03 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -60.85 -45.11 95.78 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 118.171 0.985 . . . . 0.68 109.668 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.473 HG13 HD13 ' A' ' 34' ' ' LEU . 89.6 t -58.41 -56.25 17.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 107.633 -1.247 . . . . 0.62 107.633 -177.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.0 m -59.21 -39.38 82.49 Favored 'General case' 0 C--N 1.347 0.496 0 N-CA-C 109.14 -0.689 . . . . 0.62 109.14 -174.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.1 m -63.62 -52.11 62.31 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 120.225 -0.59 . . . . 0.62 110.218 -179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -53.93 -32.02 52.25 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 119.851 -0.74 . . . . 0.68 111.393 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.733 HD11 HD23 ' A' ' 51' ' ' LEU . 96.3 mt -71.16 2.92 3.98 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 116.134 -1.888 . . . . 0.62 113.338 177.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.72 -56.17 9.11 Favored Pre-proline 0 C--N 1.358 0.941 0 CA-C-N 123.508 2.867 . . . . 0.62 115.152 -172.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.33 -15.58 22.47 Favored 'Trans proline' 0 C--N 1.362 1.246 0 CA-C-N 123.776 2.384 . . . . 0.53 111.248 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.7 m -73.51 -48.98 29.0 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 119.969 1.259 . . . . 0.82 107.656 176.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.8 mt -46.05 -44.6 15.49 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 109.358 -0.608 . . . . 0.62 109.358 178.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.81 -44.95 90.94 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 120.409 -0.516 . . . . 0.62 111.497 177.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -59.69 -45.13 93.02 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.018 0.826 . . . . 0.62 110.192 175.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.4 mt -59.45 -40.69 87.65 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 118.54 0.609 . . . . 0.62 111.333 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -69.21 -5.69 24.3 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-O 117.729 -1.129 . . . . 0.76 112.574 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 65.24 59.12 0.84 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.819 1.645 . . . . 0.68 109.104 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -160.19 -46.89 0.05 OUTLIER 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.396 -1.288 . . . . 0.62 113.0 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.44 159.37 16.99 Favored Glycine 0 C--N 1.358 1.786 0 CA-C-O 117.341 -1.811 . . . . 0.62 110.914 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -81.14 174.35 10.88 Favored 'Trans proline' 0 C--N 1.358 1.057 0 CA-C-N 121.47 2.635 . . . . 0.53 112.237 -178.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mp -64.84 -47.25 78.64 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.893 -0.575 . . . . 0.62 110.186 176.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 51.61 -120.47 10.26 Favored Glycine 0 C--N 1.351 1.38 0 CA-C-O 117.581 -1.677 . . . . 0.62 112.036 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -89.55 18.52 5.3 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-N 120.358 2.079 . . . . 0.76 112.391 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.3 t -55.26 -52.14 64.37 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 120.091 1.314 . . . . 0.82 109.938 176.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.4 m -55.91 -37.41 68.86 Favored 'General case' 0 C--N 1.347 0.466 0 C-N-CA 118.851 -1.139 . . . . 0.82 109.73 -176.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.6 -48.17 87.35 Favored Glycine 0 C--N 1.354 1.55 0 C-N-CA 120.037 -1.078 . . . . 0.62 111.611 176.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.82 -49.52 75.09 Favored Glycine 0 C--N 1.353 1.481 0 C-N-CA 119.267 -1.445 . . . . 0.62 109.746 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.5 t -52.91 -50.88 41.81 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 N-CA-C 108.253 -1.018 . . . . 0.62 108.253 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -49.27 -51.27 34.76 Favored 'General case' 0 C--N 1.35 0.611 0 N-CA-C 112.284 0.476 . . . . 0.62 112.284 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.81 -38.89 73.2 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 118.888 0.767 . . . . 0.62 111.426 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.473 HD13 HG13 ' A' ' 7' ' ' VAL . 48.5 mt -69.17 -44.79 71.5 Favored 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 108.955 -0.757 . . . . 0.62 108.955 -178.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 50.6 t -54.21 -48.37 66.54 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 109.218 -0.66 . . . . 0.62 109.218 -177.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -54.54 -43.97 72.44 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 119.572 -0.851 . . . . 0.68 110.43 175.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.6 m -92.74 38.68 1.02 Allowed 'General case' 0 C--N 1.354 0.787 0 CA-C-N 119.242 0.928 . . . . 0.62 111.261 176.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -162.53 49.9 0.18 Allowed 'General case' 0 C--N 1.352 0.711 0 CA-C-O 118.376 -0.821 . . . . 0.62 109.347 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.11 36.71 0.93 Allowed 'General case' 0 C--N 1.356 0.889 0 CA-C-N 118.784 0.72 . . . . 0.76 112.769 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.4 t -140.25 50.04 1.72 Allowed 'General case' 0 C--N 1.35 0.608 0 CA-C-N 119.507 1.048 . . . . 0.62 108.959 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.9 m 68.37 -71.4 0.11 Allowed 'General case' 0 C--N 1.353 0.722 0 N-CA-C 112.689 0.625 . . . . 0.62 112.689 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.89 -58.15 9.65 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 120.1 1.318 . . . . 0.71 110.118 -174.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -62.87 -41.04 99.24 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 120.082 -0.647 . . . . 0.71 111.491 -177.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.413 ' CZ ' ' CE1' ' A' ' 79' ' ' TYR . 3.7 tpm_? -48.6 -44.31 36.89 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 119.047 -0.502 . . . . 0.76 111.074 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -62.46 -47.06 85.68 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.13 0.877 . . . . 0.68 110.901 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.4 mm -62.53 -50.67 78.9 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 N-CA-C 107.102 -1.444 . . . . 0.62 107.102 -174.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.2 85.01 Favored 'General case' 0 CA--C 1.505 -0.772 0 C-N-CA 119.111 -1.036 . . . . 0.62 109.306 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.8 t -49.82 -50.21 45.97 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 120.045 1.293 . . . . 0.82 110.798 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.57 -40.7 97.64 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.889 -0.724 . . . . 0.62 110.455 -178.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 57.7 m -70.08 -43.53 70.94 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 120.193 -0.603 . . . . 0.82 111.878 -177.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.733 HD23 HD11 ' A' ' 11' ' ' LEU . 12.1 mt -58.38 -49.66 76.46 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 108.412 -0.959 . . . . 0.62 108.412 176.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -51.77 -51.98 52.24 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 116.377 -0.374 . . . . 0.62 110.488 174.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -60.5 -48.27 82.51 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.385 0.539 . . . . 0.62 111.023 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.87 -53.73 37.17 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 109.902 -0.407 . . . . 0.62 109.902 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.22 -52.25 66.49 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 119.982 -0.687 . . . . 0.62 109.797 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.03 -24.17 58.06 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-O 118.038 -1.423 . . . . 0.62 112.87 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.63 -22.74 67.06 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.232 2.016 . . . . 0.62 111.324 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 34.8 mm -78.94 130.27 36.38 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 CA-C-N 119.39 0.996 . . . . 0.62 110.147 -171.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.9 m -73.85 -53.43 10.21 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.4 1.0 . . . . 0.62 109.227 -174.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.73 45.88 2.92 Favored Glycine 0 C--N 1.356 1.659 0 N-CA-C 110.029 -1.228 . . . . 0.62 110.029 175.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 tt -56.38 131.24 19.75 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-N 118.52 1.16 . . . . 0.62 109.242 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -96.15 120.22 36.04 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.653 1.115 . . . . 0.68 108.209 175.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.7 tt -61.2 -52.34 65.22 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.169 0.895 . . . . 0.62 109.699 -173.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.34 -43.45 93.77 Favored Glycine 0 C--N 1.353 1.503 0 CA-C-O 118.658 -1.079 . . . . 0.62 112.556 -176.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -66.44 -41.46 89.12 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 119.319 1.56 . . . . 0.62 109.328 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.11 82.78 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 120.389 1.449 . . . . 0.62 110.329 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.73 -29.03 65.18 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 119.368 -0.933 . . . . 0.62 112.276 177.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -79.71 -20.07 69.31 Favored Glycine 0 C--N 1.353 1.484 0 CA-C-O 118.542 -1.143 . . . . 0.62 112.445 176.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.4 tp -49.37 -56.46 16.14 Favored Pre-proline 0 C--N 1.352 0.704 0 CA-C-N 119.852 1.826 . . . . 0.62 112.672 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.27 -32.8 15.8 Favored 'Trans proline' 0 C--N 1.355 0.907 0 CA-C-N 123.587 2.317 . . . . 0.53 110.191 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.7 m -58.75 -36.66 74.7 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 119.692 1.133 . . . . 0.62 110.029 176.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.7 m -56.7 -47.92 78.85 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 108.036 -1.098 . . . . 0.62 108.036 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 56.4 m -113.75 74.07 0.85 Allowed 'General case' 0 C--N 1.354 0.764 0 N-CA-C 108.659 -0.867 . . . . 0.82 108.659 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.4 113.94 4.65 Favored Glycine 0 C--N 1.353 1.493 0 CA-C-O 118.223 -1.321 . . . . 0.62 112.46 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.12 -161.9 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.786 0 N-CA-C 105.098 -2.186 . . . . 0.62 105.098 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -71.58 72.63 0.74 Allowed 'General case' 0 C--N 1.356 0.864 0 CA-C-N 123.562 2.892 . . . . 0.68 111.72 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.466 HG23 ' CZ ' ' A' ' 79' ' ' TYR . 43.5 mt -121.09 95.31 48.82 Favored Pre-proline 0 C--N 1.355 0.837 0 CA-C-O 116.906 -1.521 . . . . 0.62 109.431 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -83.98 57.16 5.34 Favored 'Trans proline' 0 C--N 1.362 1.238 0 CA-C-N 123.051 2.125 . . . . 0.53 111.257 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.466 ' CZ ' HG23 ' A' ' 77' ' ' ILE . 34.0 p90 -166.71 174.87 8.31 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 117.004 -1.474 . . . . 0.62 109.462 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.76 45.47 2.81 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 121.092 1.769 . . . . 0.62 109.286 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 42.5 mt 35.88 52.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-N 115.312 -0.858 . . . . 0.62 109.656 -177.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.1 m -68.0 127.39 93.32 Favored Pre-proline 0 C--N 1.353 0.751 0 CA-C-O 116.015 -1.945 . . . . 0.62 108.495 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -67.32 4.63 1.17 Allowed 'Trans proline' 0 C--N 1.358 1.039 0 CA-C-N 124.788 2.746 . . . . 0.53 113.67 172.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.7 m -140.31 34.0 1.89 Allowed 'General case' 0 C--N 1.358 0.953 0 CA-C-N 121.488 1.949 . . . . 0.62 111.096 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.5 t -83.06 152.88 25.17 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 120.031 1.287 . . . . 0.62 109.983 177.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -94.96 131.1 41.28 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 107.403 -1.332 . . . . 0.71 107.403 174.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 90.1 m -135.74 48.89 2.18 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 119.261 0.937 . . . . 0.82 109.016 174.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.8 p -92.98 -41.75 9.83 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-O 117.938 -1.03 . . . . 0.62 110.548 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -102.84 50.81 0.81 Allowed 'General case' 0 C--N 1.358 0.936 0 CA-C-N 120.432 1.469 . . . . 0.62 109.873 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 74.2 t -77.31 147.36 7.39 Favored 'Isoleucine or valine' 0 C--N 1.35 0.62 0 CA-C-O 117.743 -1.123 . . . . 0.62 108.069 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 . . . . . 0 C--O 1.263 1.812 0 CA-C-O 116.993 -1.479 . . . . 0.68 110.062 179.404 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 119.094 -0.479 . . . . 0.62 110.72 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -69.91 150.04 10.33 Favored 'Isoleucine or valine' 0 C--N 1.349 0.546 0 CA-C-O 118.295 -0.86 . . . . 0.62 112.489 176.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.6 p -149.19 158.06 43.87 Favored 'General case' 0 C--N 1.36 1.028 0 CA-C-N 119.484 1.038 . . . . 0.62 109.861 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 80.5 m -49.31 -44.62 44.4 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 113.924 1.083 . . . . 0.82 113.924 -177.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.91 -43.91 61.31 Favored Glycine 0 C--N 1.349 1.26 0 C-N-CA 119.179 -1.486 . . . . 0.62 111.44 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -69.28 -44.72 71.27 Favored 'General case' 0 C--N 1.351 0.665 0 N-CA-C 108.956 -0.757 . . . . 0.68 108.956 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.1 t -59.63 -54.03 40.16 Favored 'Isoleucine or valine' 0 C--N 1.349 0.574 0 C-N-CA 120.034 -0.666 . . . . 0.62 109.552 -174.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.3 m -58.78 -41.04 85.71 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 119.85 -0.74 . . . . 0.62 109.725 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.9 t -58.97 -44.65 91.57 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 119.957 -0.697 . . . . 0.62 111.059 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -53.24 -42.92 66.93 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.218 0.917 . . . . 0.68 110.163 175.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 mp -85.68 21.69 1.79 Allowed 'General case' 0 C--N 1.349 0.546 0 N-CA-C 113.915 1.08 . . . . 0.62 113.915 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.35 -52.81 59.48 Favored Pre-proline 0 C--N 1.353 0.756 0 CA-C-O 116.32 -1.8 . . . . 0.62 112.878 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -75.18 -16.11 19.99 Favored 'Trans proline' 0 C--N 1.361 1.228 0 CA-C-N 124.109 2.503 . . . . 0.53 111.783 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.5 m -68.21 -35.27 77.7 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.989 1.268 . . . . 0.82 109.88 172.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.3 mt -48.4 -42.99 33.51 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 108.434 -0.95 . . . . 0.62 108.434 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.532 ' HB1' ' HA3' ' A' ' 22' ' ' GLY . . . -55.68 -46.75 77.55 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 111.885 0.328 . . . . 0.62 111.885 175.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.41 ' CE1' ' HE2' ' A' ' 65' ' ' LYS . 79.4 t80 -60.37 -40.77 91.99 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 121.919 -0.488 . . . . 0.62 111.079 177.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.17 -35.95 81.82 Favored 'General case' 0 CA--C 1.508 -0.664 0 O-C-N 123.153 0.283 . . . . 0.62 111.718 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -63.81 -13.8 47.54 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 119.649 -0.821 . . . . 0.76 111.881 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.6 t30 68.09 51.45 0.73 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-N 119.954 1.252 . . . . 0.68 110.581 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.3 t -165.92 -47.98 0.03 OUTLIER 'General case' 0 C--N 1.352 0.684 0 CA-C-O 117.941 -1.028 . . . . 0.62 113.058 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.532 ' HA3' ' HB1' ' A' ' 16' ' ' ALA . . . -91.69 157.87 24.8 Favored Glycine 0 C--N 1.354 1.582 0 CA-C-N 120.637 1.562 . . . . 0.62 110.01 -177.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -73.93 175.13 11.24 Favored 'Trans proline' 0 C--N 1.354 0.838 0 CA-C-N 120.563 2.181 . . . . 0.53 113.496 -175.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mp -75.4 -35.35 61.04 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 118.662 -0.685 . . . . 0.62 110.674 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.19 -121.26 21.53 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-O 117.725 -1.597 . . . . 0.62 110.758 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.4 mmt85 -99.28 37.64 1.53 Allowed 'General case' 0 C--N 1.358 0.942 0 CA-C-N 119.952 1.876 . . . . 0.76 111.705 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.4 t -62.29 -54.03 46.48 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 121.597 -0.689 . . . . 0.82 109.543 174.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.9 m -54.46 -42.09 70.23 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 118.661 -1.216 . . . . 0.82 110.209 -176.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.22 -47.46 90.7 Favored Glycine 0 C--N 1.352 1.421 0 C-N-CA 119.656 -1.259 . . . . 0.62 112.145 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.57 -43.31 96.72 Favored Glycine 0 C--N 1.352 1.433 0 C-N-CA 119.494 -1.336 . . . . 0.62 111.628 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.0 t -60.93 -52.0 66.69 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 107.25 -1.389 . . . . 0.62 107.25 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -41.03 -47.46 3.09 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 112.532 0.567 . . . . 0.62 112.532 -178.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.72 95.32 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 118.878 -1.129 . . . . 0.62 110.112 -176.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.8 mt -70.21 -30.11 67.13 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-O 117.429 -1.272 . . . . 0.62 110.552 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.1 t -54.64 -47.41 72.75 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-N 121.827 2.103 . . . . 0.62 108.352 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -64.46 -37.67 88.35 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 119.624 -0.83 . . . . 0.68 111.359 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 65.7 m -80.92 -40.36 24.73 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 118.347 0.521 . . . . 0.62 110.916 -176.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.32 46.53 0.11 Allowed 'General case' 0 C--N 1.348 0.534 0 C-N-CA 123.496 0.718 . . . . 0.62 112.511 175.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -136.29 42.8 2.53 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.534 1.061 . . . . 0.76 109.589 171.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 42' ' ' GLU . 1.9 m -133.09 30.22 3.97 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 109.414 -0.587 . . . . 0.62 109.414 172.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.27 27.9 m 57.3 -73.04 0.02 OUTLIER 'General case' 0 C--N 1.355 0.838 0 N-CA-C 113.633 0.975 . . . . 0.62 113.633 -176.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 40' ' ' THR . 1.9 tm-20 -52.52 -51.93 57.17 Favored 'General case' 0 C--N 1.347 0.482 0 N-CA-C 107.634 -1.247 . . . . 0.71 107.634 -178.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -63.56 -44.23 94.74 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 119.798 -0.761 . . . . 0.71 112.656 -177.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -52.34 -41.11 62.74 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 112.856 0.687 . . . . 0.76 112.856 176.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -60.47 -39.21 86.81 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 118.854 -1.138 . . . . 0.68 110.149 -176.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.3 mm -62.37 -50.04 81.52 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 N-CA-C 108.104 -1.073 . . . . 0.62 108.104 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.55 -63.19 1.2 Allowed 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.376 0.989 . . . . 0.62 111.18 -177.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.2 p -60.85 -41.47 95.94 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 118.023 -0.989 . . . . 0.82 112.621 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 49.5 m -66.45 -45.7 78.91 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.59 1.541 . . . . 0.62 109.79 -175.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 89.3 m -60.9 -43.52 98.39 Favored 'General case' 0 CA--C 1.511 -0.545 0 O-C-N 121.035 -1.041 . . . . 0.82 110.517 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.479 HD13 HD13 ' A' ' 81' ' ' ILE . 35.9 mt -68.24 -43.24 78.34 Favored 'General case' 0 CA--C 1.507 -0.677 0 C-N-CA 119.343 -0.943 . . . . 0.62 110.212 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.48 ' HG3' ' HA ' ' A' ' 83' ' ' PRO . 37.7 tttp -46.24 -52.08 13.19 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 109.054 -0.721 . . . . 0.62 109.054 175.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.8 p -66.81 -42.8 85.33 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 118.384 -0.817 . . . . 0.62 110.948 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.26 -53.96 52.34 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 120.178 1.354 . . . . 0.62 109.407 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.48 -49.31 64.96 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 120.233 -0.587 . . . . 0.62 110.013 175.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.68 -35.0 56.76 Favored Glycine 0 C--N 1.35 1.358 0 C-N-CA 119.534 -1.317 . . . . 0.62 112.317 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.51 -32.56 72.62 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 118.896 1.348 . . . . 0.62 113.087 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 58' ' ' ILE . 68.4 mt -67.68 132.29 32.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 CA-C-N 119.729 1.15 . . . . 0.62 108.778 -176.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.5 m -71.82 -52.21 18.6 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 120.101 1.318 . . . . 0.62 113.152 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.19 41.17 3.08 Favored Glycine 0 C--N 1.355 1.598 0 CA-C-N 119.504 1.047 . . . . 0.62 111.565 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.13 138.14 22.88 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 CA-C-O 117.626 -1.178 . . . . 0.62 109.136 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -110.78 127.22 55.29 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 119.102 0.865 . . . . 0.68 109.69 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.43 -48.84 76.12 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 109.284 -0.636 . . . . 0.62 109.284 -173.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.24 -39.84 95.1 Favored Glycine 0 C--N 1.351 1.399 0 C-N-CA 119.84 -1.171 . . . . 0.62 112.173 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.41 ' HE2' ' CE1' ' A' ' 17' ' ' TYR . 13.2 mmmm -66.71 -40.31 88.38 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 118.256 1.028 . . . . 0.62 109.203 -178.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.56 -55.51 31.14 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 119.513 -0.875 . . . . 0.62 112.39 173.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.55 -16.52 63.77 Favored 'General case' 0 C--N 1.346 0.442 0 C-N-CA 118.895 -1.122 . . . . 0.62 112.5 175.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.86 -26.06 74.82 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-N 120.661 1.573 . . . . 0.62 113.745 175.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.0 mt -48.89 -56.79 13.5 Favored Pre-proline 0 C--N 1.351 0.658 0 CA-C-N 120.22 2.01 . . . . 0.62 114.325 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.22 -22.06 55.16 Favored 'Trans proline' 0 C--N 1.36 1.166 0 CA-C-N 123.927 2.438 . . . . 0.53 113.064 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.2 t -83.85 -53.23 5.75 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 119.419 1.009 . . . . 0.62 109.671 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.7 m -67.94 -46.83 70.36 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 118.302 0.501 . . . . 0.62 110.642 -177.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 86.9 m -90.83 64.88 5.65 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 107.452 -1.314 . . . . 0.82 107.452 171.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -36.21 101.43 0.01 OUTLIER Glycine 0 C--N 1.351 1.417 0 CA-C-O 117.763 -1.576 . . . . 0.62 114.53 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 7.8 m -141.08 157.05 22.43 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 CA-C-N 119.449 1.625 . . . . 0.62 110.126 176.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -80.98 61.73 4.69 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 118.974 0.806 . . . . 0.68 110.52 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.3 pt -89.26 119.01 69.66 Favored Pre-proline 0 C--N 1.359 1.002 0 CA-C-O 116.837 -1.554 . . . . 0.62 107.977 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -81.85 54.28 4.98 Favored 'Trans proline' 0 C--N 1.356 0.952 0 CA-C-N 123.049 2.125 . . . . 0.53 110.966 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -171.98 133.36 0.71 Allowed 'General case' 0 C--N 1.352 0.694 0 CA-C-O 117.334 -1.317 . . . . 0.62 108.534 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -82.29 134.44 35.27 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 105.251 -2.129 . . . . 0.62 105.251 176.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.479 HD13 HD13 ' A' ' 51' ' ' LEU . 78.2 mt -76.94 101.39 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.726 0 N-CA-C 104.063 -2.569 . . . . 0.62 104.063 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.5 m -153.01 146.64 18.17 Favored Pre-proline 0 C--N 1.356 0.863 0 CA-C-N 121.023 1.738 . . . . 0.62 111.046 177.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.48 ' HA ' ' HG3' ' A' ' 52' ' ' LYS . 65.0 Cg_endo -68.09 -15.69 43.5 Favored 'Trans proline' 0 C--N 1.361 1.212 0 CA-C-N 122.185 1.816 . . . . 0.53 112.17 -178.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.8 t -73.3 -44.61 58.75 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 119.658 1.117 . . . . 0.62 111.972 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.1 t -72.89 156.53 38.78 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.869 -1.062 . . . . 0.62 111.611 -175.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.16 148.56 44.06 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.317 0.962 . . . . 0.71 108.462 174.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 10.8 m -107.94 28.24 8.44 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 118.197 0.453 . . . . 0.82 110.38 176.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.6 p -68.46 -45.79 71.52 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 108.387 -0.968 . . . . 0.62 108.387 177.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.26 61.52 0.69 Allowed 'General case' 0 C--N 1.357 0.899 0 N-CA-C 106.832 -1.544 . . . . 0.62 106.832 176.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.1 p -62.41 152.34 7.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 CA-C-O 118.147 -0.93 . . . . 0.62 110.578 -177.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 . . . . . 0 C--O 1.262 1.751 0 N-CA-C 107.961 -1.126 . . . . 0.68 107.961 178.262 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 117.608 -1.187 . . . . 0.62 109.835 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 29.0 mm -83.57 150.57 4.14 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 CA-C-N 119.791 1.178 . . . . 0.62 108.889 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.57 158.66 43.67 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 108.936 -0.764 . . . . 0.62 108.936 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.5 m -60.31 -35.01 74.6 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 119.226 -0.99 . . . . 0.82 111.969 -176.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.47 -43.41 85.31 Favored Glycine 0 C--N 1.352 1.439 0 CA-C-N 120.377 1.444 . . . . 0.62 112.178 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -58.77 -36.55 74.57 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 118.178 0.989 . . . . 0.68 109.569 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.6 t -72.87 -63.78 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.591 0 N-CA-C 109.831 -0.433 . . . . 0.62 109.831 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 m -46.8 -48.35 20.77 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 118.008 0.367 . . . . 0.62 111.027 -175.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.0 p -55.33 -55.59 29.8 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 118.383 -0.818 . . . . 0.62 112.195 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -63.53 -34.42 77.74 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 120.929 1.695 . . . . 0.68 111.057 178.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.714 ' HG ' HD21 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -75.44 -0.32 19.67 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 116.812 -1.566 . . . . 0.62 111.78 177.69 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.69 -52.44 60.61 Favored Pre-proline 0 C--N 1.356 0.87 0 CA-C-N 123.154 2.706 . . . . 0.62 113.529 -174.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.23 -27.8 48.32 Favored 'Trans proline' 0 C--N 1.364 1.346 0 CA-C-N 123.196 2.177 . . . . 0.53 110.654 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 83.8 m -65.35 -51.05 63.12 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 108.603 -0.888 . . . . 0.82 108.603 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.5 mt -48.35 -42.2 30.76 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 120.035 -0.666 . . . . 0.62 110.606 176.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.63 -36.44 73.45 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 119.391 -0.924 . . . . 0.62 111.342 177.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -58.17 -36.92 73.75 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.545 1.066 . . . . 0.62 110.897 172.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.2 mt -60.89 -36.21 78.64 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 119.879 -0.728 . . . . 0.62 110.979 177.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -70.43 1.99 4.41 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 117.069 -1.443 . . . . 0.76 113.284 174.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 48.81 40.87 17.26 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 122.354 2.343 . . . . 0.68 109.307 -169.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.8 m -126.86 -60.5 1.22 Allowed 'General case' 0 C--N 1.358 0.97 0 CA-C-O 118.032 -0.985 . . . . 0.62 110.349 -178.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -96.46 145.39 17.81 Favored Glycine 0 C--N 1.356 1.683 0 CA-C-O 116.885 -2.064 . . . . 0.62 110.626 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -77.73 163.79 28.64 Favored 'Trans proline' 0 C--N 1.359 1.11 0 CA-C-N 122.621 3.21 . . . . 0.53 111.986 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.9 mt -66.83 -42.1 86.35 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-N 119.068 0.849 . . . . 0.62 110.663 177.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.67 -103.24 0.59 Allowed Glycine 0 C--N 1.351 1.415 0 N-CA-C 109.151 -1.58 . . . . 0.62 109.151 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -122.38 33.0 5.58 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-N 119.31 1.555 . . . . 0.76 109.59 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.4 t -62.75 -46.76 86.58 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 118.836 -1.146 . . . . 0.82 108.202 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.8 m -48.7 -42.94 36.57 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 118.339 -0.839 . . . . 0.82 111.235 -176.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.05 -48.24 87.07 Favored Glycine 0 C--N 1.352 1.445 0 C-N-CA 119.418 -1.373 . . . . 0.62 110.381 176.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.86 -36.44 93.39 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-N 118.607 1.203 . . . . 0.62 112.25 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.7 t -62.64 -55.11 25.83 Favored 'Isoleucine or valine' 0 C--N 1.355 0.815 0 N-CA-C 105.676 -1.972 . . . . 0.62 105.676 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -53.11 -42.53 66.08 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-O 118.886 -0.578 . . . . 0.62 112.126 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.44 -45.55 56.0 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 119.928 -0.709 . . . . 0.62 109.94 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.6 mt -70.25 -38.89 75.24 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.243 -0.884 . . . . 0.62 110.987 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.9 t -52.9 -43.02 45.42 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 CA-C-N 120.107 1.321 . . . . 0.62 109.221 -175.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -49.39 -49.45 44.64 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 119.854 -0.739 . . . . 0.68 111.579 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.1 p -81.67 -48.64 11.45 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 118.609 -0.71 . . . . 0.62 109.42 -177.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.47 46.27 0.01 OUTLIER 'General case' 0 C--N 1.352 0.679 0 N-CA-C 115.931 1.826 . . . . 0.62 115.931 168.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.39 19.46 2.93 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-N 120.458 1.481 . . . . 0.76 112.174 167.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.8 m -106.63 51.8 0.74 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-N 120.389 1.449 . . . . 0.62 109.797 -173.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 m 69.66 -67.74 0.22 Allowed 'General case' 0 C--N 1.353 0.725 0 N-CA-C 113.207 0.817 . . . . 0.62 113.207 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -78.8 -59.41 2.79 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 108.758 -0.83 . . . . 0.71 108.758 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.47 -47.73 19.16 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 116.314 -0.403 . . . . 0.71 110.203 -174.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -44.9 -51.43 9.69 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 114.61 1.337 . . . . 0.76 114.61 172.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -66.41 -36.36 82.64 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 109.62 -0.511 . . . . 0.68 109.62 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.9 mm -61.42 -51.83 68.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 107.577 -1.268 . . . . 0.62 107.577 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.13 -52.76 62.24 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-N 119.142 0.883 . . . . 0.62 110.447 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.587 ' SG ' ' CD1' ' A' ' 79' ' ' TYR . 42.6 m -50.93 -49.68 59.25 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 118.947 -1.101 . . . . 0.82 110.985 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.9 m -60.7 -49.78 76.12 Favored 'General case' 0 C--N 1.351 0.633 0 N-CA-C 107.987 -1.116 . . . . 0.62 107.987 -173.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 88.9 m -60.31 -47.63 85.2 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-O 118.697 -0.668 . . . . 0.82 111.952 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.714 HD21 ' HG ' ' A' ' 11' ' ' LEU . 11.4 mt -63.53 -46.3 86.62 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 118.578 0.626 . . . . 0.62 109.875 -176.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -46.62 -51.1 16.5 Favored 'General case' 0 C--N 1.346 0.437 0 C-N-CA 120.178 -0.609 . . . . 0.62 109.971 176.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.5 p -70.61 -37.42 73.85 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 118.054 -0.974 . . . . 0.62 111.797 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.4 81.5 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 120.598 1.545 . . . . 0.62 109.958 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.13 -49.07 68.76 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.824 -1.176 . . . . 0.62 107.824 176.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.57 73.95 0.23 Allowed Glycine 0 C--N 1.354 1.535 0 CA-C-N 119.646 1.112 . . . . 0.62 111.088 177.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -175.89 -52.35 0.01 OUTLIER 'General case' 0 C--N 1.355 0.814 0 CA-C-N 118.001 0.901 . . . . 0.62 109.679 -176.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.6 mm -42.96 134.13 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.866 0 CA-C-O 117.865 -1.064 . . . . 0.62 110.372 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.9 t -79.07 -52.99 7.45 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 120.426 1.466 . . . . 0.62 111.395 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.38 44.27 3.27 Favored Glycine 0 C--N 1.357 1.697 0 CA-C-N 119.921 1.237 . . . . 0.62 112.639 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.8 tt -76.98 137.33 22.69 Favored 'Isoleucine or valine' 0 C--N 1.352 0.692 0 CA-C-N 119.19 1.495 . . . . 0.62 110.665 -178.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -104.03 120.22 40.61 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 107.142 -1.429 . . . . 0.68 107.142 170.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 tp -57.75 -44.91 86.43 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.949 1.25 . . . . 0.62 109.951 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.87 -40.83 65.86 Favored Glycine 0 C--N 1.354 1.563 0 C-N-CA 119.393 -1.384 . . . . 0.62 111.604 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -72.07 -40.64 68.14 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 118.581 1.19 . . . . 0.62 109.434 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.45 -48.87 78.02 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.244 0.929 . . . . 0.62 110.099 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.87 -22.28 61.54 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 119.377 0.99 . . . . 0.62 111.242 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -84.18 -15.96 68.21 Favored Glycine 0 C--N 1.357 1.737 0 CA-C-O 118.096 -1.391 . . . . 0.62 113.41 173.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.6 tp -58.02 -46.76 99.67 Favored Pre-proline 0 C--N 1.353 0.742 0 CA-C-N 120.792 2.296 . . . . 0.62 112.005 -176.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -60.14 -42.89 39.5 Favored 'Trans proline' 0 CA--C 1.502 -1.079 0 CA-C-N 122.474 1.919 . . . . 0.53 111.691 173.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -60.2 -42.55 95.33 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 119.608 -0.837 . . . . 0.62 109.07 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.5 m -64.57 -50.18 68.26 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 107.068 -1.456 . . . . 0.62 107.068 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 82.4 m -89.49 66.07 7.24 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 107.973 -1.121 . . . . 0.82 107.973 173.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.02 109.12 0.12 Allowed Glycine 0 C--N 1.352 1.467 0 CA-C-O 117.726 -1.597 . . . . 0.62 113.005 -177.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 13.0 m -145.36 157.22 13.29 Favored 'Isoleucine or valine' 0 C--N 1.356 0.89 0 CA-C-N 119.681 1.74 . . . . 0.62 110.927 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -82.31 64.69 7.09 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 118.355 0.525 . . . . 0.68 111.707 -176.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 47.7 pt -102.63 133.65 20.35 Favored Pre-proline 0 C--N 1.356 0.868 0 CA-C-O 116.922 -1.513 . . . . 0.62 110.478 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -86.67 55.43 3.3 Favored 'Trans proline' 0 C--N 1.362 1.276 0 CA-C-N 123.28 2.207 . . . . 0.53 112.025 177.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.587 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 18.4 p90 -175.52 146.55 0.79 Allowed 'General case' 0 C--N 1.354 0.77 0 CA-C-O 115.859 -2.019 . . . . 0.62 108.85 178.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -100.46 29.63 4.31 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-N 121.661 2.028 . . . . 0.62 112.912 -176.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.455 HG22 ' O ' ' A' ' 81' ' ' ILE . 17.3 mt 50.1 39.55 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.702 0 O-C-N 121.269 -0.894 . . . . 0.62 111.16 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 28.2 t -94.78 131.27 30.91 Favored Pre-proline 0 C--N 1.353 0.721 0 CA-C-O 115.823 -2.037 . . . . 0.62 108.821 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -51.25 -32.02 39.24 Favored 'Trans proline' 0 C--N 1.362 1.276 0 CA-C-N 123.744 2.373 . . . . 0.53 114.018 175.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -85.19 -9.31 57.96 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.269 -1.348 . . . . 0.62 114.07 -176.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.5 m -81.17 118.16 22.32 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 121.321 1.873 . . . . 0.62 109.798 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -74.83 129.48 37.76 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 120.079 1.308 . . . . 0.71 109.457 173.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 4.0 t -144.13 39.13 1.32 Allowed 'General case' 0 C--N 1.352 0.697 0 CA-C-N 119.129 0.877 . . . . 0.82 109.599 172.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.1 m -103.52 0.65 31.26 Favored 'General case' 0 C--N 1.359 0.995 0 CA-C-O 116.703 -1.618 . . . . 0.62 112.828 175.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -128.85 38.24 3.97 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-N 120.996 1.726 . . . . 0.62 108.279 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.6 t -89.96 128.95 41.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 CA-C-O 118.607 -0.711 . . . . 0.62 109.497 -170.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 . . . . . 0 C--O 1.268 2.078 0 CA-C-O 118.293 -0.861 . . . . 0.68 111.517 179.49 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 118.618 -0.706 . . . . 0.62 111.288 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.513 HD13 HG12 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -67.72 130.9 33.3 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 CA-C-O 117.913 -1.041 . . . . 0.62 109.96 -179.66 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.7 p -136.18 157.5 46.67 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 120.26 1.391 . . . . 0.62 111.484 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.4 t -64.53 -29.49 70.52 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 117.901 -1.047 . . . . 0.82 111.843 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.35 -42.44 64.32 Favored Glycine 0 C--N 1.353 1.475 0 CA-C-N 119.505 1.048 . . . . 0.62 113.111 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -62.68 -46.28 88.9 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 118.389 1.095 . . . . 0.68 109.876 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 66.0 t -65.8 -43.33 93.37 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 N-CA-C 107.608 -1.256 . . . . 0.62 107.608 -176.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.652 HG23 HD11 ' A' ' 15' ' ' LEU . 93.3 m -62.22 -47.2 85.49 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 108.004 -1.11 . . . . 0.62 108.004 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.1 t -56.67 -47.5 79.69 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 120.726 -0.39 . . . . 0.62 109.998 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -55.1 -42.81 73.38 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 120.248 -0.581 . . . . 0.68 110.801 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 mp -96.79 24.67 5.87 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 118.531 -0.747 . . . . 0.62 112.93 -177.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.52 -51.9 77.53 Favored Pre-proline 0 C--N 1.353 0.752 0 CA-C-N 120.227 1.376 . . . . 0.62 112.241 -174.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.35 -30.95 36.03 Favored 'Trans proline' 0 C--N 1.362 1.281 0 CA-C-N 122.854 2.055 . . . . 0.53 110.929 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.6 m -61.26 -39.59 90.9 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 119.696 -0.802 . . . . 0.82 109.293 178.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.652 HD11 HG23 ' A' ' 8' ' ' THR . 77.9 mt -56.31 -44.4 79.87 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.788 1.176 . . . . 0.62 109.086 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.99 -47.17 81.38 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 120.02 -0.672 . . . . 0.62 109.293 176.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -50.53 -43.27 55.94 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 120.116 1.325 . . . . 0.62 111.279 176.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.1 mt -50.48 -39.33 47.85 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.939 -0.704 . . . . 0.62 111.046 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.0 ttt-85 -88.29 27.62 1.21 Allowed 'General case' 0 C--N 1.353 0.754 0 CA-C-O 118.466 -0.778 . . . . 0.76 111.475 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 44.93 49.36 9.22 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-N 120.877 1.671 . . . . 0.68 111.978 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -137.87 -53.7 0.65 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-O 118.158 -0.925 . . . . 0.62 112.859 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -99.97 145.39 17.35 Favored Glycine 0 C--N 1.356 1.644 0 CA-C-O 115.498 -2.834 . . . . 0.62 109.919 -176.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -71.66 -173.64 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.138 1 CA-C-N 125.122 4.461 . . . . 0.53 112.219 177.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -78.48 -43.23 27.54 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 108.572 -0.899 . . . . 0.62 108.572 175.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.68 -128.56 45.19 Favored Glycine 0 C--N 1.353 1.505 0 CA-C-O 118.203 -1.332 . . . . 0.62 111.194 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -90.07 14.25 12.86 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 119.261 1.53 . . . . 0.76 112.114 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.9 t -53.02 -43.24 66.37 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 120.306 1.412 . . . . 0.82 109.689 174.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 82.6 m -52.31 -40.59 62.06 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.826 -0.749 . . . . 0.82 112.779 -175.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.03 -39.8 96.18 Favored Glycine 0 C--N 1.35 1.349 0 C-N-CA 119.184 -1.484 . . . . 0.62 110.499 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.17 -36.46 91.85 Favored Glycine 0 C--N 1.349 1.265 0 C-N-CA 119.921 -1.133 . . . . 0.62 111.915 175.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.562 HG12 HG21 ' A' ' 75' ' ' VAL . 40.6 t -62.11 -44.25 98.78 Favored 'Isoleucine or valine' 0 C--N 1.352 0.679 0 N-CA-C 106.582 -1.636 . . . . 0.62 106.582 177.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -53.68 -45.33 70.29 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 118.524 -0.751 . . . . 0.62 110.309 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.17 -43.44 67.06 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 119.739 1.154 . . . . 0.62 110.083 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 mt -56.9 -33.77 67.23 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 118.665 -1.214 . . . . 0.62 112.631 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.4 t -54.71 -52.56 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.698 0 CA-C-N 120.723 1.601 . . . . 0.62 108.696 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -68.84 -39.4 79.98 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 119.542 -0.863 . . . . 0.68 109.29 -177.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.8 t -65.56 -67.3 0.45 Allowed 'General case' 0 C--N 1.356 0.853 0 N-CA-C 106.812 -1.551 . . . . 0.62 106.812 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.39 -48.19 13.53 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 118.264 0.483 . . . . 0.62 110.704 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.7 -12.48 0.07 Allowed 'General case' 0 C--N 1.349 0.577 0 CA-C-O 116.777 -1.582 . . . . 0.76 114.749 -177.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.1 m -88.07 39.21 0.89 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-N 121.362 1.892 . . . . 0.62 111.217 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.426 HG23 ' HA ' ' A' ' 91' ' ' GLN . 81.1 m 59.03 -80.59 0.02 OUTLIER 'General case' 0 C--N 1.356 0.852 0 CA-C-N 120.444 1.475 . . . . 0.62 114.911 172.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.15 -48.83 72.15 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 107.821 -1.177 . . . . 0.71 107.821 -173.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.61 -37.97 8.92 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-O 118.827 -0.606 . . . . 0.71 111.463 175.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.524 ' NH1' ' O ' ' A' ' 91' ' ' GLN . 4.4 ttp-105 -69.38 -40.83 77.18 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 119.483 1.038 . . . . 0.76 112.681 177.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -56.11 -43.81 78.46 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 107.833 -1.173 . . . . 0.68 107.833 176.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.513 HG12 HD13 ' A' ' 2' ' ' ILE . 1.4 mp -62.73 -50.55 79.29 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 CA-C-O 118.615 -0.707 . . . . 0.62 110.04 174.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.11 -50.89 68.08 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 119.915 1.234 . . . . 0.62 110.408 -176.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.9 m -57.52 -48.19 79.94 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 119.238 -0.985 . . . . 0.82 109.738 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 46.9 m -60.28 -47.44 85.99 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 107.479 -1.304 . . . . 0.62 107.479 -174.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 44.7 t -60.08 -45.71 91.99 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 115.383 -0.826 . . . . 0.82 111.728 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.7 mt -70.75 -45.94 63.89 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 109.366 -0.605 . . . . 0.62 109.366 -175.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -54.68 -42.73 71.75 Favored 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 120.756 -0.378 . . . . 0.62 110.149 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.2 m -67.73 -47.67 68.65 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 120.018 -0.673 . . . . 0.62 109.599 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.93 -63.58 1.1 Allowed 'General case' 0 C--N 1.353 0.728 0 N-CA-C 109.41 -0.589 . . . . 0.62 109.41 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.01 -41.38 78.42 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 120.456 -0.498 . . . . 0.62 109.796 -176.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.45 -35.6 73.0 Favored Glycine 0 C--N 1.353 1.513 0 C-N-CA 120.358 -0.925 . . . . 0.62 112.796 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.69 -33.88 74.72 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 119.099 1.449 . . . . 0.62 111.64 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 30.9 mm -69.43 125.31 27.18 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 N-CA-C 108.058 -1.09 . . . . 0.62 108.058 -175.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.4 m -75.56 -51.77 12.13 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-N 120.453 1.479 . . . . 0.62 111.177 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.59 50.71 4.29 Favored Glycine 0 C--N 1.354 1.549 0 CA-C-N 119.535 1.061 . . . . 0.62 110.656 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -85.15 136.32 23.02 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 CA-C-O 117.655 -1.164 . . . . 0.62 109.039 -174.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -104.92 118.98 37.89 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-N 119.831 1.196 . . . . 0.68 109.001 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 66.2 tp -56.9 -44.67 82.57 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 118.508 0.595 . . . . 0.62 110.057 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.08 -38.03 65.14 Favored Glycine 0 C--N 1.354 1.541 0 C-N-CA 119.965 -1.112 . . . . 0.62 112.2 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -72.09 -47.3 52.37 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.038 1.419 . . . . 0.62 109.676 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.7 -53.88 17.06 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 119.804 1.184 . . . . 0.62 110.997 173.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.12 -20.04 63.2 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-O 118.434 -0.793 . . . . 0.62 113.054 175.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.2 -26.03 67.21 Favored Glycine 0 C--N 1.35 1.352 0 CA-C-N 120.485 1.493 . . . . 0.62 113.338 173.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.403 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 58.9 mt -51.36 -51.91 64.42 Favored Pre-proline 0 C--N 1.349 0.586 0 CA-C-N 120.42 2.11 . . . . 0.62 113.284 -178.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 37.1 Cg_endo -59.24 -23.43 69.57 Favored 'Trans proline' 0 C--N 1.366 1.453 0 CA-C-N 124.908 2.789 . . . . 0.53 112.037 175.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.0 t -81.5 -54.7 5.22 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 120.199 1.363 . . . . 0.62 109.214 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.2 m -60.86 -47.69 85.22 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 109.762 -0.458 . . . . 0.62 109.762 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 82.3 m -93.9 74.57 4.19 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 106.287 -1.746 . . . . 0.82 106.287 172.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -50.14 114.69 2.64 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-O 118.454 -1.192 . . . . 0.62 112.375 176.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.562 HG21 HG12 ' A' ' 31' ' ' VAL . 17.5 m -144.72 -151.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-O 116.784 -1.579 . . . . 0.62 106.917 178.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -131.32 51.63 2.13 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 122.294 2.316 . . . . 0.68 110.301 176.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.2 pt -81.11 128.91 69.23 Favored Pre-proline 0 C--N 1.359 0.986 0 CA-C-O 114.596 -2.621 . . . . 0.62 107.586 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -71.38 38.5 0.34 Allowed 'Trans proline' 0 C--N 1.367 1.535 0 CA-C-N 126.85 3.482 . . . . 0.53 116.252 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -163.44 163.76 24.77 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 120.98 1.718 . . . . 0.62 109.058 -177.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . 0.279 19.4 ptmt -108.11 17.49 22.25 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.289 0.993 . . . . 0.62 112.37 -178.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 6.6 mt 61.25 34.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 107.546 -1.279 . . . . 0.62 107.546 170.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.7 m -89.47 135.2 31.29 Favored Pre-proline 0 C--N 1.35 0.595 0 CA-C-O 115.286 -2.292 . . . . 0.62 109.291 -175.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -71.54 68.98 2.78 Favored 'Trans proline' 0 C--N 1.361 1.225 0 CA-C-N 122.989 2.103 . . . . 0.53 112.48 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.9 m -169.37 -51.67 0.02 OUTLIER 'General case' 0 C--N 1.351 0.631 0 N-CA-C 108.481 -0.933 . . . . 0.62 108.481 -174.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.2 m -33.19 112.0 0.11 Allowed 'General case' 0 C--N 1.356 0.879 0 O-C-N 123.981 0.8 . . . . 0.62 111.649 172.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -89.8 132.08 35.42 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 107.304 -1.369 . . . . 0.71 107.304 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 63.7 m -122.32 63.61 0.95 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.287 1.403 . . . . 0.82 108.734 175.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.7 m -84.17 -41.63 16.83 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-O 118.471 -0.776 . . . . 0.62 109.893 173.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -121.64 64.76 0.9 Allowed 'General case' 0 C--N 1.359 1.007 0 N-CA-C 107.656 -1.239 . . . . 0.62 107.656 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.8 t -113.35 141.93 27.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-O 117.232 -1.366 . . . . 0.62 109.885 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.524 ' O ' ' NH1' ' A' ' 44' ' ' ARG . 69.1 mt-30 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 117.174 -1.394 . . . . 0.68 109.533 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 120.555 0.217 . . . . 0.62 111.259 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -81.61 142.14 14.16 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.615 0 CA-C-O 119.037 -0.506 . . . . 0.62 110.116 -174.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 m -164.88 135.56 3.98 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 117.821 -1.085 . . . . 0.62 109.892 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 83.0 m -58.32 -33.73 69.82 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 121.19 1.814 . . . . 0.82 110.076 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -41.49 -47.67 4.72 Favored Glycine 0 C--N 1.349 1.289 0 C-N-CA 120.362 -0.923 . . . . 0.62 113.487 169.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -61.51 -40.42 94.55 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 118.869 1.334 . . . . 0.68 108.81 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.41 ' HA ' HD21 ' A' ' 34' ' ' LEU . 58.6 t -72.23 -55.43 13.3 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 N-CA-C 108.008 -1.108 . . . . 0.62 108.008 -168.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.8 t -54.41 -39.28 67.13 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 121.309 -0.87 . . . . 0.62 111.471 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.1 p -69.33 -49.11 58.68 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 119.167 0.894 . . . . 0.62 109.76 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -56.87 -37.24 71.06 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 120.042 1.292 . . . . 0.68 111.112 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.57 HD11 HD23 ' A' ' 51' ' ' LEU . 97.5 mt -70.75 0.99 5.94 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 116.288 -1.815 . . . . 0.62 113.921 177.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.425 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -41.28 -53.03 7.13 Favored Pre-proline 0 C--N 1.356 0.869 0 CA-C-N 122.53 2.423 . . . . 0.62 113.887 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.425 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 9.8 Cg_exo -77.63 -22.83 10.25 Favored 'Trans proline' 0 C--N 1.356 0.951 0 CA-C-N 123.168 2.167 . . . . 0.53 112.103 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.3 m -71.58 -55.77 7.16 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 107.747 -1.205 . . . . 0.82 107.747 -177.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 pp -45.12 -38.61 5.25 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.762 -0.775 . . . . 0.62 111.403 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.98 -45.39 81.83 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.872 -0.731 . . . . 0.62 109.163 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -58.71 -46.19 87.88 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 120.593 0.235 . . . . 0.62 111.018 175.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.8 mt -60.68 -29.95 69.62 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 121.139 -0.976 . . . . 0.62 111.046 -177.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -72.3 4.08 4.05 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.282 -1.342 . . . . 0.76 114.104 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 57.15 34.42 24.83 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 122.352 2.342 . . . . 0.68 110.218 -172.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.7 m -127.71 -63.37 1.03 Allowed 'General case' 0 C--N 1.357 0.898 0 CA-C-O 118.432 -0.794 . . . . 0.62 110.498 -177.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.91 167.89 32.32 Favored Glycine 0 C--N 1.354 1.558 0 CA-C-O 117.311 -1.827 . . . . 0.62 111.043 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -88.82 -178.66 1.97 Allowed 'Trans proline' 0 C--N 1.358 1.03 0 CA-C-N 121.322 2.561 . . . . 0.53 113.285 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -50.08 -51.72 40.44 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 112.191 0.441 . . . . 0.62 112.191 176.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.38 -130.66 51.32 Favored Glycine 0 C--N 1.348 1.242 0 CA-C-O 117.744 -1.587 . . . . 0.62 110.72 -177.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.2 mtm-85 -95.2 26.76 3.57 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 120.324 2.062 . . . . 0.76 110.557 177.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 27.0 t -58.97 -48.2 82.39 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 119.572 1.078 . . . . 0.82 108.459 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.1 t -59.95 -39.06 84.28 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 119.157 -1.017 . . . . 0.82 110.869 -175.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.34 -46.2 94.38 Favored Glycine 0 C--N 1.353 1.483 0 N-CA-C 109.874 -1.291 . . . . 0.62 109.874 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.71 -50.55 64.47 Favored Glycine 0 C--N 1.351 1.414 0 C-N-CA 119.303 -1.427 . . . . 0.62 110.037 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.414 ' HA ' HD12 ' A' ' 34' ' ' LEU . 98.0 t -56.3 -51.22 66.17 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 N-CA-C 107.217 -1.401 . . . . 0.62 107.217 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -49.69 -46.19 49.75 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 119.154 0.888 . . . . 0.62 111.18 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.57 -37.66 65.76 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 120.088 -0.645 . . . . 0.62 110.764 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 31' ' ' VAL . 21.7 mt -72.05 -38.23 69.52 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 109.962 -0.384 . . . . 0.62 109.962 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.9 t -50.08 -48.0 23.79 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 N-CA-C 107.755 -1.202 . . . . 0.62 107.755 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -57.89 -40.94 81.48 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 118.406 -0.807 . . . . 0.68 110.64 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.1 m -98.9 38.97 1.31 Allowed 'General case' 0 C--N 1.357 0.906 0 CA-C-N 118.71 0.686 . . . . 0.62 109.408 173.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -150.33 48.64 0.9 Allowed 'General case' 0 C--N 1.355 0.83 0 C-N-CA 119.841 -0.744 . . . . 0.62 109.884 175.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.85 -46.5 0.36 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-O 117.275 -1.345 . . . . 0.76 112.298 179.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.8 p -60.88 72.4 0.01 OUTLIER 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.987 1.267 . . . . 0.62 111.794 172.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.0 m 46.6 -83.06 0.01 OUTLIER 'General case' 0 C--N 1.354 0.774 0 N-CA-C 116.346 1.98 . . . . 0.62 116.346 169.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -65.93 -46.2 79.09 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 120.791 1.632 . . . . 0.71 106.633 -175.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -51.7 -50.64 60.11 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.248 -0.981 . . . . 0.71 109.972 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -51.03 48.6 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 112.749 0.648 . . . . 0.76 112.749 174.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -66.09 -42.67 89.01 Favored 'General case' 0 CA--C 1.513 -0.47 0 O-C-N 121.178 -0.951 . . . . 0.68 111.295 -174.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.7 mm -66.15 -47.74 83.7 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 108.219 -1.03 . . . . 0.62 108.219 -177.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.0 -52.37 65.53 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.621 1.101 . . . . 0.62 108.337 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.415 ' C ' ' SG ' ' A' ' 87' ' ' CYS . 26.9 t -51.88 -41.24 61.75 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 118.926 -0.559 . . . . 0.82 111.317 176.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 90.7 m -65.27 -45.56 84.01 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.463 1.029 . . . . 0.62 109.839 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.0 m -66.14 -39.89 90.18 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 121.057 -1.027 . . . . 0.82 111.014 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.57 HD23 HD11 ' A' ' 11' ' ' LEU . 49.8 mt -60.9 -45.84 93.0 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 107.81 -1.181 . . . . 0.62 107.81 178.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -52.98 -43.99 66.83 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 109.666 -0.494 . . . . 0.62 109.666 175.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.2 m -66.51 -44.97 81.09 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-O 119.346 -0.359 . . . . 0.62 110.624 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.71 -50.03 69.3 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 109.017 -0.734 . . . . 0.62 109.017 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.3 -47.69 78.17 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 119.093 -1.043 . . . . 0.62 108.616 -177.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.72 -36.81 88.07 Favored Glycine 0 C--N 1.356 1.668 0 C-N-CA 120.171 -1.014 . . . . 0.62 112.822 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.81 -39.18 84.01 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.313 1.557 . . . . 0.62 112.464 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.2 mt -71.95 131.82 34.16 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 CA-C-O 118.452 -0.785 . . . . 0.62 110.3 -172.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 m -73.69 -54.57 7.8 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 120.015 1.28 . . . . 0.62 112.728 -175.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -89.34 41.35 3.02 Favored Glycine 0 C--N 1.356 1.662 0 CA-C-N 119.714 1.143 . . . . 0.62 112.004 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.41 122.25 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.745 0 CA-C-N 118.129 0.964 . . . . 0.62 110.533 -175.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -89.34 118.22 28.86 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 120.099 1.318 . . . . 0.68 108.664 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.4 tt -55.25 -52.97 61.7 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 118.717 0.689 . . . . 0.62 109.455 -175.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.18 -39.47 81.21 Favored Glycine 0 C--N 1.351 1.39 0 C-N-CA 120.0 -1.095 . . . . 0.62 114.255 -175.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 69' ' ' LEU . 50.8 mttp -70.22 -47.05 63.16 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 119.023 1.412 . . . . 0.62 107.43 -179.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.34 -58.76 6.49 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 119.831 -0.748 . . . . 0.62 110.555 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.63 -39.7 71.17 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 118.416 0.553 . . . . 0.62 112.13 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -85.69 -3.59 85.98 Favored Glycine 0 C--N 1.352 1.46 0 CA-C-O 118.624 -1.098 . . . . 0.62 113.469 176.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.45 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 34.8 tp -50.16 -47.82 81.07 Favored Pre-proline 0 C--N 1.351 0.662 0 CA-C-N 120.042 1.921 . . . . 0.62 112.542 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 69' ' ' LEU . 31.2 Cg_endo -59.46 -27.61 85.42 Favored 'Trans proline' 0 C--N 1.364 1.362 0 CA-C-N 124.214 2.541 . . . . 0.53 112.61 177.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.3 m -70.71 -47.33 60.36 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 119.181 -1.008 . . . . 0.62 109.15 176.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.9 m -58.26 -49.22 77.89 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.847 -0.741 . . . . 0.62 109.391 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 40.1 t -100.6 79.32 2.08 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 106.737 -1.579 . . . . 0.82 106.737 173.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -34.44 110.29 0.06 OUTLIER Glycine 0 C--N 1.353 1.479 0 CA-C-O 117.895 -1.503 . . . . 0.62 113.448 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.4 m -142.23 154.2 18.57 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 CA-C-N 119.478 1.639 . . . . 0.62 109.591 176.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -90.47 54.27 2.68 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.931 1.241 . . . . 0.68 111.405 -175.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.494 HD12 ' CE1' ' A' ' 79' ' ' TYR . 31.0 pt -91.42 123.87 62.73 Favored Pre-proline 0 C--N 1.353 0.754 0 CA-C-O 115.502 -2.189 . . . . 0.62 107.275 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -90.34 61.13 1.66 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 CA-C-N 125.06 2.843 . . . . 0.53 109.539 176.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.494 ' CE1' HD12 ' A' ' 77' ' ' ILE . 27.6 p90 -161.8 158.01 24.99 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 118.674 -0.679 . . . . 0.62 109.792 172.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -98.47 143.04 29.33 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 107.598 -1.26 . . . . 0.62 107.598 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 93.0 mt -85.15 74.84 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.721 0 N-CA-C 106.18 -1.785 . . . . 0.62 106.18 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.1 m -125.72 142.73 42.92 Favored Pre-proline 0 C--N 1.359 0.98 0 CA-C-O 115.566 -2.159 . . . . 0.62 110.936 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -73.7 67.55 4.69 Favored 'Trans proline' 0 C--N 1.361 1.212 0 CA-C-N 124.085 2.495 . . . . 0.53 110.271 176.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.9 t -163.1 -59.74 0.04 OUTLIER 'General case' 0 C--N 1.355 0.804 0 CA-C-N 118.077 0.399 . . . . 0.62 110.678 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.9 t -44.72 145.57 0.89 Allowed 'General case' 0 C--N 1.356 0.863 0 CA-C-O 118.913 -0.565 . . . . 0.62 112.345 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -86.49 152.95 22.23 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 118.978 0.808 . . . . 0.71 109.162 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.415 ' SG ' ' C ' ' A' ' 48' ' ' CYS . 61.4 m -117.76 -51.65 2.47 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 118.146 0.43 . . . . 0.82 110.545 176.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 55.6 p -51.63 -30.7 22.49 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 120.805 -1.184 . . . . 0.62 113.774 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -93.91 38.14 1.08 Allowed 'General case' 0 C--N 1.355 0.805 0 CA-C-N 119.973 1.26 . . . . 0.62 111.87 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.2 t -81.71 132.8 30.65 Favored 'Isoleucine or valine' 0 C--N 1.348 0.522 0 C-N-CA 119.061 -1.056 . . . . 0.62 109.131 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 . . . . . 0 C--O 1.261 1.681 0 N-CA-C 107.886 -1.154 . . . . 0.68 107.886 175.45 . . . . . . . . 0 0 . 1 stop_ save_